smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3OC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377630 SLNCDBXTRCBVHT-NHFJDJAPSA-N 587.698 4.657 10 10 KJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1N=Nc1ccc(S(=O)(=O)O)c2ccccc12 1084329499 DFYGTEYIWRLCOY-OAQYLSRUSA-N 536.551 4.993 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OC)c(I)c3)C2=O)c1 1084540363 OIGIHTUANHJXTO-ZSOIEALJSA-N 615.218 4.526 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cccc(OCC(C)C)c3)c3ccccc3)CC2)cc1 1862257185 IBLNOLQVHOYBOA-MUUNZHRXSA-N 501.627 4.550 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014031 LQJPEHDQTWCNLL-UUOWRZLLSA-N 510.594 4.868 10 10 KJCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865032279 ZUVRDWUPXSIHNR-FQRUVTKNSA-N 536.632 4.963 10 10 KJCE COc1ccc(C2=NN(Cc3cccc(Cl)c3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679598 VKGXDARHKHCVNR-CIAFOILYSA-N 505.914 4.858 10 10 KJCE CCC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867412503 WWFZWESQCKHXHD-RPBOFIJWSA-N 529.523 4.757 10 10 KJCE Cc1ccccc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867891747 AWNANNYRPWJBQS-XZWHSSHBSA-N 530.688 4.885 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4ccc(C(C)(C)C)cc4)oc3C)CC2)cc1 1868660166 ZDUSACANBQHVRK-UHFFFAOYSA-N 532.685 4.742 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(Cl)cc3)C(C)C)C(C)C)CC2)cc1 1868705860 NTRSVESHAKMSIG-VPUSJEBWSA-N 500.083 4.968 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873165176 HCWOQKYVIDQRGC-UHFFFAOYSA-N 533.628 4.993 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NCc3ccc(OC)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873166493 QVBJRVZJPRMGSC-UHFFFAOYSA-N 556.663 4.593 10 10 KJCE CCCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421445 YNNVAPFCAYTQNM-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccc3nc[nH]c3c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423429 LCIVFQPIWYXNQB-UHFFFAOYSA-N 510.642 4.894 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)c(O)c(Br)c3)C2=O)cc1 2293987252 VZZNBKLNAZALIQ-UHFFFAOYSA-N 526.206 4.901 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(=NC3=NC(=O)C(=Cc4ccc(Cl)cc4)S3)s2)cc1 2314951642 FXJITFGWYMCFAA-UHFFFAOYSA-N 560.082 4.603 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC 33337816 XUOUQSSJBHBQBL-ATVHPVEESA-N 507.431 4.793 10 10 KJCE COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)cc1 100321142 DPIGFSACVHOQDH-KGENOOAVSA-N 523.383 4.685 10 10 KJCE CCOC(=O)C1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 103117768 CITWJINSBRTLID-RCCKNPSSSA-N 569.108 4.529 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1cccc(C)c1 103602689 JXGUWLGPKZYEBI-JHLMGVGISA-N 531.638 4.604 10 10 KJCE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864013019 OCVTWNWGVVJIDZ-QFIPXVFZSA-N 529.012 4.554 10 10 KJCE COc1ccc(-c2nn(Cc3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864017578 PGWQHNSPAHXBOQ-RUZDIDTESA-N 540.620 4.546 10 10 KJCE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018878 SYEOHTRXTOTQBA-JOCHJYFZSA-N 543.451 4.965 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851596 WJKXGXWYSRVJMF-VMPREFPWSA-N 534.651 4.715 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCc4nc[nH]c4[C@@H]3C)n2)cc1 1869340833 QLXQXZZSCCQJCX-NRFANRHFSA-N 525.657 4.724 10 10 KJCE CCc1ccccc1OCC(=O)Oc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874743291 DDRMBNZLMZTIHM-UHFFFAOYSA-N 502.611 4.637 10 10 KJCE O=C(N[C@@]1(c2cc(I)ccc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952776035 SDRBPLVWTDSYLA-PXDATVDWSA-N 541.341 4.835 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 2040469733 KGLMCJBXQFWOLL-HXUWFJFHSA-N 539.704 4.635 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OCC)c3)C(=O)N=C2S1 2293648411 GXXPWGLQDKEOER-UHFFFAOYSA-N 512.613 4.581 10 10 KJCE CCSc1nnc(-c2cc(Br)ccc2NC=C2C(=O)N(c3ccccc3)N=C2C)c(O)n1 2297313343 DUEFPDPLOJSIBI-UHFFFAOYSA-N 511.405 4.837 10 10 KJCE CSCC[C@H](C(=O)O)N1C(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)o2)SC1=S 2314650598 QSVSJERNGZYWNF-MRXNPFEDSA-N 581.744 4.611 10 10 KJCE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33910876 FDOMCQDBVIYUBV-FYJGNVAPSA-N 526.659 4.770 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 101013627 SIJDOEJXTKJJKC-OOAXWGSJSA-N 620.801 4.518 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N(CC)CC 101744832 FZBHKKBBHQLZBR-KGENOOAVSA-N 548.086 4.532 10 10 KJCE O=C1c2ccccc2C(=O)c2c(N3C(=O)CCN3c3ccccc3)ccc(N3C(=O)CCN3c3ccccc3)c21 107537289 HPQSPQOYZUCWJS-UHFFFAOYSA-N 528.568 4.779 10 10 KJCE CCN1CCN(Cc2ccc(N3CCCC3)c(OC)c2)CCOc2ccccc2Oc2ncccc2C1=O 643588369 FNIRNQOTIFARKM-UHFFFAOYSA-N 516.642 4.839 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 1772721338 JZVAEUCIFJAXMR-XZUALCJPSA-N 600.770 4.689 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008137 DAYOANVINISJSX-MHZLTWQESA-N 524.621 4.734 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864015969 GYOJVGKAYZBUEI-XDHUDOTRSA-N 526.593 4.562 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CSCc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21 1866852580 AXALBNVCERHXAE-SANMLTNESA-N 564.667 4.734 10 10 KJCE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868859975 WSKKKFUIZAHPRZ-IHLOFXLRSA-N 529.681 4.520 10 10 KJCE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869003683 QUZIGUGAFSIUSO-YTTGMZPUSA-N 552.679 4.530 10 10 KJCE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOc3ccccc3)C2=O)CC1 1873170587 GTZCHTDBKIBUJB-UHFFFAOYSA-N 555.675 4.822 10 10 KJCE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 2065323980 HJYYPODYNSCCOU-SKSZWDJVSA-N 697.778 4.754 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2313560980 OEEVLXGHRNDGAQ-UHFFFAOYSA-N 515.703 4.727 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935436 PAKMRJAYYKUIEQ-INIZCTEOSA-N 521.016 4.527 10 10 KJCE C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(=O)O)Cc1ccc(N)cc1 26501882 ADYHBZJCWPIGJS-AUBWUTKTSA-N 572.706 4.804 10 10 KJCE O=C(NN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S)c1ccncc1 103657643 XRFVQZSOGQZUOE-UDWIEESQSA-N 526.983 4.768 10 10 KJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526466589 ZFVGXONBAYKNED-VWLOTQADSA-N 505.523 4.739 10 10 KJCE CCOc1ccc(CCN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc1OCC 1858589122 ILGCWSMKNWKBAE-PXLXIMEGSA-N 503.642 4.954 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccnc(NC(=O)c2ccc(Br)o2)c1 1860510417 YDEMGMGMZQWCJI-UHFFFAOYSA-N 516.307 4.717 10 10 KJCE CCCC[C@@H](NC(=O)CCCOc1ccccc1Cl)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862228150 OXANBVULCCLJSE-XMMPIXPASA-N 502.055 4.531 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864010893 BRQXYJKYIHKNDG-VNOPPTIDSA-N 523.033 4.694 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864013050 PAOKXAOBZPIUKN-SAQVGAHLSA-N 534.632 4.824 10 10 KJCE COCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864014906 FWQGGDVBEXEKGI-AREMUKBSSA-N 548.599 4.561 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029581 QRSGMVBESSTCDD-QFIPXVFZSA-N 509.006 4.597 10 10 KJCE O=C(CCS(=O)(=O)c1cccc(Cl)c1)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866886633 SDFRNJWCIIHBAE-NDEPHWFRSA-N 587.053 4.775 10 10 KJCE COCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)C)n2)C[C@H]1C 1868228018 JJYWMITUTAVKTA-BGYRXZFFSA-N 513.642 4.664 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN3CCc4c(F)cccc4[C@H]3C2)n1 1868480896 HXZKWBNDYQSWPK-AREMUKBSSA-N 519.580 4.863 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868939321 CSOMEOYRJHOZNC-HLADLETHSA-N 561.748 4.964 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869157303 CEWOYRZAGYAOTJ-SANMLTNESA-N 553.667 4.500 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccs4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969682 ITANSSQHFQAQJC-BUHFOSPRSA-N 500.628 4.624 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1 1871282338 IVXNOIBNZMLIFG-UHFFFAOYSA-N 536.359 4.903 10 10 KJCE COc1ccc(CCN2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873165292 GKCSTPYDPNKHMF-UHFFFAOYSA-N 545.680 4.839 10 10 KJCE 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CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 110529017 AFLYFHVKANIWAV-UQQQWYQISA-N 549.766 4.680 10 10 KJCE COc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1 252517860 SXABGJNFMSIQQJ-WJOKGBTCSA-N 618.715 4.988 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526332168 AOBKJUVHGSTVQQ-AREMUKBSSA-N 504.539 4.911 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865026078 JJHOBEODYNROKC-NRFANRHFSA-N 517.413 4.521 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029066 FJJQKYIUWXZAPJ-MHECFPHRSA-N 502.615 4.640 10 10 KJCE CC(=O)Oc1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867290868 FMVQLZZEEIRYSG-JSOSNVBQSA-N 574.697 4.502 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)c4cc(C)on4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869247615 QARXMDGHASEWNS-VWLOTQADSA-N 574.085 4.845 10 10 KJCE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419530 JLIYRFJIDXRERQ-VWLOTQADSA-N 513.594 4.642 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296545381 MAJBJTJQFVJAEP-UHFFFAOYSA-N 547.750 4.717 10 10 KJCE CCN(CC)c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(OC)c1 2313548383 UUMCAYVTLYZZKM-UHFFFAOYSA-N 500.393 4.587 10 10 KJCE COC(=O)CCN1C(=O)C(=Cc2ccc(OCc3ccc(Br)cc3)c(OC)c2)SC1=S 2314769825 VSKYXNQDVIFWAT-UHFFFAOYSA-N 522.442 4.801 10 10 KJCE COc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 6038857 BXOLFQBURCNGAY-PFOSVVTISA-N 548.440 4.701 10 10 KJCE COc1cc(C(=O)N/C(=C\c2cn(C)c3ccccc23)C(=O)N2CCc3ccccc32)cc(OC)c1OC 20867609 CVYRYOWHBPCNSM-HAHDFKILSA-N 511.578 4.564 10 10 KJCE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 40066873 LFXKQPXZGLTIAY-HMAPJEAMSA-N 528.675 4.817 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 210696119 SIFSEBJRMSWMEP-LICLKQGHSA-N 512.531 4.658 10 10 KJCE CC1CCN(c2cc(N3CCC(C)CC3)c([N+](=O)[O-])cc2C=c2sc3nc4ccccc4n3c2=O)CC1 254396645 ULQUYWVWBYTTFP-UHFFFAOYSA-N 517.655 4.838 10 10 KJCE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 606672045 LXTRPHQECCINGR-OZPNSZCYSA-N 527.627 4.999 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864015551 BWZYLSPKBOGJIK-XMMPIXPASA-N 525.609 4.737 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864017062 DNCMKZOVZZXTOX-DEOSSOPVSA-N 532.641 4.914 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035543 WJEGYKXDVDRZSS-QHCPKHFHSA-N 523.033 4.512 10 10 KJCE CCc1sc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865943829 WQLCSJLPVVXJTD-UHFFFAOYSA-N 577.478 4.845 10 10 KJCE Cc1ccc(-c2cc(C(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)nn2C)cc1C 1866827985 QKGYSKUMBPCTRX-UHFFFAOYSA-N 520.589 4.626 10 10 KJCE CCC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867231054 QYQXFDMTEFDFSL-QHCPKHFHSA-N 533.422 4.999 10 10 KJCE CC/C(=C\C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868666394 LRVLQWWEZFPNRS-BHZLPXECSA-N 527.665 4.574 10 10 KJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2[C@H](Cc3ccccc3)COCC2(C)C)n1 1869120716 GTYASADXZLRKHJ-RUZDIDTESA-N 501.675 4.601 10 10 KJCE C[C@@H](O)Cn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871024478 MOWAHLBGORXHAY-OAQYLSRUSA-N 505.615 4.840 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873166780 YQOHMVCEQJREAU-UHFFFAOYSA-N 514.029 4.904 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873167721 UWTSSPONSNHTSS-UHFFFAOYSA-N 514.029 4.904 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427319 KZDKTNUSYLLPBG-UHFFFAOYSA-N 534.016 4.942 10 10 KJCE COc1ccc(C=C2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2295924233 FIEAWWWQOAXIIU-UHFFFAOYSA-N 553.493 4.918 10 10 KJCE Cc1c(Cl)cccc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 2296634305 UZNDJOOMOPMKNL-UHFFFAOYSA-N 509.035 4.688 10 10 KJCE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 2313560738 FFTYIKZOCIFAFJ-UHFFFAOYSA-N 536.382 4.700 10 10 KJCE CCN(C)C(=O)c1ccc(CSc2nc(C)c(C)c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 36064163 PTHXCFBUSGDYOE-UHFFFAOYSA-N 505.688 4.813 10 10 KJCE O=C(O)CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 101014361 ZCMFQOLZDGMSPJ-MOHJPFBDSA-N 596.756 4.780 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1 103602164 XXYRHXQAEMOVJA-IBYRGGOQSA-N 517.954 4.630 10 10 KJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C[C@@H](c3ccccc3)N3CCCC3)C2=O)cc1 1858594397 XHLBDUQEOWDOOC-XSICDPOBSA-N 523.724 4.972 10 10 KJCE NC1=C(C(=O)NC2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864015339 OXWXCTMVTRARSV-OAQYLSRUSA-N 542.558 4.895 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(Cl)c3)c2O1 1864016094 HLOYJBNJDMPLMK-HSZRJFAPSA-N 528.996 4.636 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864020238 XBPXZLKLNWJKCL-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE Nc1ccc(NC(=O)CCN2C(=O)c3c(Br)c(Br)c(Br)c(Br)c3C2=O)cc1 1866025156 FOEAZRGHIJVCHR-UHFFFAOYSA-N 624.909 4.944 10 10 KJCE Cc1ccccc1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867891745 AWNANNYRPWJBQS-KYJUHHDHSA-N 530.688 4.885 10 10 KJCE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869006669 CHOIBDPNSINMBM-MUUNZHRXSA-N 569.500 4.597 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(C)c4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970028 CQRBJBBBTKPGJZ-UHFFFAOYSA-N 503.006 4.817 10 10 KJCE COc1ccc(OCCn2cc(OCCO)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1 1870792788 SLXNGDVHKHDIOO-UHFFFAOYSA-N 501.583 4.663 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCCCN(C)C)C2=O)cc1 1873162284 OALCMEZWUVPKTC-UHFFFAOYSA-N 537.708 4.840 10 10 KJCE COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc(OC)c1 1873424942 LWPJTZOEOXFIFK-UHFFFAOYSA-N 516.642 4.645 10 10 KJCE C/C(NCCCCCCCCCCCCN/C(C)=C1/SC(=S)NC1=O)=C1/SC(=S)NC1=O 100095514 RQMOJENWGYSDDH-JRDMOELTSA-N 514.808 4.825 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 100884315 LKPPCKDFBQBUBN-LGUFXXKBSA-N 567.740 4.727 10 10 KJCE CCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 101357178 KJESOBONTFISBF-JOCHJYFZSA-N 536.698 4.800 10 10 KJCE O=C(O[C@H]1[C@H](c2c(O)cc(O)c3c2O[C@H](c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 162956086 KTLUHRSHFRODPS-OGEAXBTCSA-N 882.736 4.958 10 10 KJCE endogenous,in-man COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526633197 QLFLFSPPFPWNFA-SANMLTNESA-N 520.582 4.853 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1C 1083927911 PTYZLKPNAUPACQ-GZTJUZNOSA-N 510.300 4.901 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862283045 IWRYBEOZNFFVAL-MUUNZHRXSA-N 517.645 4.822 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864013981 KKAHTLQMVNLVIP-VTYKSARXSA-N 520.674 4.682 10 10 KJCE CC(C)COC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870849272 ZHVZNFFEXZHQBG-UHFFFAOYSA-N 507.631 4.945 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1OC 2297624348 WZPYZLJZQHBKQM-UHFFFAOYSA-N 516.200 4.604 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 2314400484 NLQAXLULZZDODS-CALCHBBNSA-N 541.098 4.671 10 10 KJCE COC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S 2314769572 SBOMTHHOKSPECS-UHFFFAOYSA-N 522.442 4.801 10 10 KJCE CC(=Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330431566 RGWATOKHPIWEHW-MUUNZHRXSA-N 530.580 4.937 10 10 KJCE CCOC(=O)c1c(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(C)C2=O)sc2c1CCCC2 39793578 LXURYEUXGQZDAF-KNTRCKAVSA-N 500.667 4.729 10 10 KJCE Cc1ccc(OCC(=O)NN2C(=O)c3cc(Br)ccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 39920676 OTPMYIXWLSJGNH-XMMPIXPASA-N 509.404 4.500 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)[C@H]2CCS(=O)(=O)C2)cc1 54311070 QZEXFYGWRDEKMU-DHLKQENFSA-N 500.705 4.948 10 10 KJCE COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 110558195 YIWQIWJCPPALBL-VKLZREONSA-N 612.799 4.575 10 10 KJCE CC(=O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 150349605 GZEZATDDANETAV-IFENNUINSA-N 719.630 4.756 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(I)cc2)cc1 1084065113 LWBXDYZZPXHTDK-BKUYFWCQSA-N 542.304 4.676 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864008452 KPGFTBLKCCZGFW-HSZRJFAPSA-N 509.006 4.779 10 10 KJCE 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4.752 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCCC[C@@H]3CCO)n2)cc1 1867997091 WMXQSRPLHRZNKB-RUZDIDTESA-N 517.674 4.619 10 10 KJCE COCCN(CCOC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867999280 VOEPMJLUYPSBOO-UHFFFAOYSA-N 533.717 4.876 10 10 KJCE COCCc1nc(N2CCC(Oc3cccc(Cl)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869111172 WBYCTRHJBQFHJG-UHFFFAOYSA-N 538.092 4.702 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3Cc3ccccn3)CC2)cc1 1870490676 VBWCQMXQGZACAC-UHFFFAOYSA-N 524.665 4.818 10 10 KJCE CCN(CC)CCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426098 UHOAWTALNDTYNK-UHFFFAOYSA-N 513.642 4.586 10 10 KJCE CC[C@@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S 2296540696 HQAYDDOXTMGHGB-QGZVFWFLSA-N 526.709 4.789 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 2331397488 HZDMTMXWCZOMIO-UHFFFAOYSA-N 515.017 4.908 10 10 KJCE Cc1ccc2nc(N3CCCCCC3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 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509.697 4.548 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015126 JYHAYZJOLFSBMP-GTNSWQLSSA-N 522.911 4.565 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864020080 VNQWKSKYKPRLLN-AREMUKBSSA-N 524.621 4.533 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865033013 PTEUXFHTEUHULK-NYHFZMIOSA-N 509.006 4.595 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(F)cc5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867943786 UXULNLDHGKYALP-UHFFFAOYSA-N 538.671 4.868 10 10 KJCE Cc1cc(Cl)ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425583 GTGRHKQBCPTHGI-UHFFFAOYSA-N 533.072 4.970 10 10 KJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313557101 TVYJXPMVEYAYJQ-UHFFFAOYSA-N 537.391 4.558 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCCc3ccccc3)nc12 2314414345 WTVINNDRITYBAW-UHFFFAOYSA-N 608.749 4.861 10 10 KJCE COc1ccc(N2CCN(C(=O)C3CCN(Cc4nc(-c5ccc(Cl)cc5)oc4C)CC3)CC2)cc1 8597492 KFANQUHWSKBDAZ-UHFFFAOYSA-N 509.050 4.873 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33812502 PDHNVPHELYAHOB-LORYXUCWSA-N 529.776 4.608 10 10 KJCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 101253581 RKDXXLNLZDVZDO-JNHVIYSYSA-N 517.976 4.775 10 10 KJCE COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(N(C)C)cc3)=NC2=O)cc1 102370739 FLFNINCRGUWSQZ-SXOMAYOGSA-N 557.676 4.948 10 10 KJCE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867622284 ASSFWFFDUHXSBP-ACHIHNKUSA-N 641.838 4.744 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896475 LUSXBXWZLRBRFO-RRPNLBNLSA-N 510.748 4.564 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(Nc3ccc(NC(C)=O)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873417224 YKUZCOWOWBCMNW-UHFFFAOYSA-N 569.662 4.865 10 10 KJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H](CN)c1cc(Br)c(Br)o1 2194919679 YOWLEBXBRNAPMX-OAHLLOKOSA-N 503.235 4.966 10 10 KJCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S 2314836157 ATVRDLRFSXHWPQ-GOSISDBHSA-N 512.653 4.617 10 10 KJCE CCOc1cc(C=C2C(=O)N(c3ccc(OC)cc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139785 RPGPHOPGGZDRQN-UHFFFAOYSA-N 519.520 4.690 10 10 KJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)/C2=C(\C)NCCSCc2nc[nH]c2C)cc1 205965684 DCNIZCWRFPRHBJ-HAVVHWLPSA-N 518.668 4.884 10 10 KJCE CCCCn1c(=C2C(=O)N(c3ccccc3)N=C2Nc2ccccc2)sc(=C2Sc3ccccc3N2C)c1=O 254816094 BDOYSFVUAXMBBA-UHFFFAOYSA-N 553.713 4.641 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864009947 GFFQIDQELQGFJC-MHZLTWQESA-N 538.648 4.906 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865031405 GBUWUEKQMGKBNF-QGZVFWFLSA-N 522.911 4.519 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@@H]3c3ccccc3Cl)CC2)cc1 1865163967 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PGMPERQTAZSKME-UHFFFAOYSA-N 523.836 4.993 10 10 KJCE Cc1ccccc1OCC1=NN2C(=N)C(=Cc3cc(Br)c(O)c(Br)c3)C(=O)N=C2S1 2297500249 VDOMWOVIEPAIKE-UHFFFAOYSA-N 550.232 4.924 10 10 KJCE Cc1c(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 2381836 ZFJPIEBODZUPED-SILNSSARSA-N 526.709 4.946 10 10 KJCE Cc1c(/C=C2/SC(=S)N(C(C)C)C2=O)c(N2CCC(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 33459750 CWLRBJLHLDNTQX-HZHRSRAPSA-N 506.697 4.634 10 10 KJCE CN(C)c1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 72413146 OENWQMYSWUBUCY-XMMPIXPASA-N 521.404 4.967 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCc4ccccc43)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377693 APRIJGYAZYODOI-ZTKZIYFRSA-N 610.736 4.549 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 109952936 FOYIHXIHSZWFCA-DIBXZPPDSA-N 615.756 4.921 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018972 FVOZVMKFIKLWPV-NRFANRHFSA-N 541.446 4.609 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864019433 YOODJPVANBTWTI-YOJAFSQSSA-N 537.060 4.948 10 10 KJCE Cc1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867821527 XDGJNKPALISICO-XZWHSSHBSA-N 530.688 4.885 10 10 KJCE CCC[C@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868888847 XIFKQFZENRCLDY-NSOVKSMOSA-N 507.675 4.611 10 10 KJCE CCCN(CCCN(C)C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2C)n1 1869153630 TWRXDHFETDZTLT-UHFFFAOYSA-N 502.707 4.955 10 10 KJCE C[C@]1(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)Oc2ccccc2N(CCc2ccccc2)C1=O 1871333504 ZEODUTOVAJFFPU-JGCGQSQUSA-N 516.553 4.828 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NCc3cccs3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873163880 ASSHCFPMMIWDAP-UHFFFAOYSA-N 532.666 4.646 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1873168769 IZVDJJSNCQQBFL-UHFFFAOYSA-N 533.554 4.948 10 10 KJCE CCOCCCN1C(=O)C(Nc2cccc(C(=O)OCC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422848 SEMMVLLMIOACTP-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)CCc4c[nH]c5ccccc45)CC3)cccc21 1874016137 AWLPWYRPKVURPR-UHFFFAOYSA-N 505.574 4.753 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCCCOc2ccccc2)cc1 2293347060 FTRWWGAUAZBMGR-UHFFFAOYSA-N 521.367 4.963 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC[C@@H]3C)nc12 2314414131 QKYMYWBXRAGGGI-KRWDZBQOSA-N 534.663 4.512 10 10 KJCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 2314627568 JORRSGDAMMIVAL-FQEVSTJZSA-N 505.036 4.888 10 10 KJCE C[C@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O)C(=O)O 2314931781 QQWORBLKUFHQFJ-KRWDZBQOSA-N 534.615 4.664 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 33751741 LTTSODUHNNHYKQ-OJIOPUPCSA-N 504.681 4.887 10 10 KJCE Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c(C)c1 59679669 QQLORTIKAKCYTO-JAIQZWGSSA-N 507.999 4.894 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 102132411 DWQHZNGJSLJNGB-UHFFFAOYSA-N 590.681 4.866 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(F)cc1 103595207 BOOPZRRFEPKJSU-SFVNEBNVSA-N 535.944 4.769 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(OC)c3OCc3ccccc3F)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252673652 RHLMXAPEHTXANM-GDLZYMKVSA-N 601.700 4.591 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2ccc(Br)o2)n1 1860556957 FULITVWVYBRBQP-UHFFFAOYSA-N 516.307 4.717 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013297 VKDLMBIAOVBVHH-QHCPKHFHSA-N 523.033 4.702 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864019698 PEGUKXHXNUFKAJ-DEOSSOPVSA-N 549.002 4.692 10 10 KJCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865025764 DKMOFOIUCKAXKI-HHHXNRCGSA-N 542.611 4.922 10 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COC(=O)C1CCC(CN2C(=O)C(NCCc3ccc(OC)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873166370 NJKDEZWLKFKUHO-UHFFFAOYSA-N 569.702 4.994 10 10 KJCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCc3ccccc3)ncnc21 1875221929 LVZGSULRVVCLNG-UHFFFAOYSA-N 556.711 4.874 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1ccccc1C 2293276322 CMMMRVQVWIQJMT-UHFFFAOYSA-N 500.551 4.826 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Br)c1OC 2313549293 SAFRZUPFUISWQC-UHFFFAOYSA-N 552.219 4.902 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(NC[C@H]3CCCO3)nc12 2314413569 AZFCWAXIBZQQEO-QGZVFWFLSA-N 527.071 4.649 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccc(N(C)C)cc3)SC2=S)cc1OC 2323678324 ZKTGGZRFXOWAIA-IBGZPJMESA-N 500.642 4.967 10 10 KJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526330838 FGQGUSXRUDAIMK-HSZRJFAPSA-N 513.930 4.843 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)c1 1864012055 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CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 2313558608 FSKICAWQGJSWAM-UHFFFAOYSA-N 646.434 4.938 10 10 KJCE O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NCc1ccc(-c2ccc(Br)cc2)o1 2313785104 NCUJTIULQRRYFC-UHFFFAOYSA-N 512.360 4.784 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CC=Cc5ccccc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 2331336977 OGMMKQOVRHOJNQ-UHFFFAOYSA-N 547.707 4.709 10 10 KJCE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 100897853 YMIAVTSPJFYQJR-UUMRFZBWSA-N 521.645 4.674 10 10 KJCE CCCCCOC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCCCCC)C2=O)SC1=S 103402459 AQTPPQIDYZWTQE-VXPUYCOJSA-N 574.812 4.946 10 10 KJCE O=C1NC(=O)C(=Cc2ccc(Sc3nnc(Cc4cccc5ccccc45)n3-c3ccccc3)c([N+](=O)[O-])c2)C(=O)N1 103773109 VPHRCMZJYJCOOF-UHFFFAOYSA-N 576.594 4.820 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 103784704 NXDUXEJBUNYIHK-GVMLUORFSA-N 550.055 4.998 10 10 KJCE O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 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548.537 4.892 10 10 KJCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865026224 KJSIPJNEEWEOEN-HHHXNRCGSA-N 542.611 4.922 10 10 KJCE CCC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867277951 YNVCSKHBCWETNS-QHCPKHFHSA-N 506.562 4.698 10 10 KJCE CCCCOc1ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC 1867674659 IITFOWLYNNNOFF-YIXXDRMTSA-N 538.733 4.792 10 10 KJCE CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867911441 ZFGPWVBXGLALQJ-LOSJGSFVSA-N 562.136 4.509 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3sc(C)nc3C(C)C)CC2)cc1 1868975433 CDFCBLAAOVXYSM-RUZDIDTESA-N 552.766 4.964 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OCCOc3ccc(C)cc3)C2=O)cc1 2293201992 GGBSTLKBWZLSTJ-UHFFFAOYSA-N 551.393 4.890 10 10 KJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cccn3CCOc3ccc(Br)cc3)C2=O)cc1 2296024830 NIFILQNPTOQUJV-UHFFFAOYSA-N 508.372 4.558 10 10 KJCE 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WNJJGWFZZVSQJO-IFRHDIGASA-N 515.726 4.691 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)c1OC 526390136 YUVGNCPUTNMOJO-NDEPHWFRSA-N 528.653 4.579 10 10 KJCE O=C(CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CC1)c1ccc(Cl)cc1 1860598813 RPUPWKLULDKCBV-UHFFFAOYSA-N 528.992 4.956 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007836 WBFKQOULFJQMHE-BIBXISHDSA-N 503.386 4.508 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC2=CCCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1864011297 GAXQWGKYYNFTOL-MHZLTWQESA-N 528.653 4.969 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865026409 NJRNTWDCSJDLOX-HSZRJFAPSA-N 511.022 4.648 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032186 XMJDHNLEZXXFBV-FQEVSTJZSA-N 530.547 4.954 10 10 KJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(Cl)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665836 NZBIWACCJIGDDM-XHPQRKPJSA-N 532.040 4.890 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867760926 QEVWZFMVUGALLX-URLMMPGGSA-N 547.769 4.738 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)c3ccccc3)CC2)cc1 1868673058 IMYWRYPUBGHNBD-IOWSJCHKSA-N 534.660 4.623 10 10 KJCE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858386 XDCKUHXYQVLGNX-LOYHVIPDSA-N 547.671 4.659 10 10 KJCE CCc1ccccc1N=c1[nH]c(N2CCN(c3ccc(OC)cc3)CC2)nc(=NCCC2=CCCCC2)[nH]1 1871559878 RFUWGYPSRZTIEK-UHFFFAOYSA-N 513.690 4.659 10 10 KJCE O=C(CCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccc(C(=O)O)cc1 2295916575 AGSCITYXEINWRX-UHFFFAOYSA-N 505.415 4.767 10 10 KJCE CCN1C(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509029 MKTJZDUJMIDNOF-UHFFFAOYSA-N 540.085 4.984 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1cc(C)c(C)cc1Br 2297577738 WHCNKJIZBNNEKO-UHFFFAOYSA-N 521.458 4.923 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 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CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013547 YECUIBJPIGKQJH-NYHFZMIOSA-N 511.022 4.558 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864018262 GZXSIGCEMFPVOF-AREMUKBSSA-N 542.611 4.672 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864020034 UTLLLYQKFLYMTA-CZZAQMAHSA-N 530.669 4.911 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)c3nc(C4CC4)n4ccccc34)cccc21 1866859238 FVMJNGGXSGDUDN-AREMUKBSSA-N 570.605 4.673 10 10 KJCE CC[C@](C)(NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867082021 YMAQBXBOJTXHER-XIFFEERXSA-N 584.673 4.908 10 10 KJCE CCOc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867531362 XTTZNBJGALMICZ-JSOSNVBQSA-N 560.714 4.975 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868860249 NOLPEWYVQMFMEH-MVSFAKPFSA-N 559.707 4.528 10 10 KJCE 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4.569 10 10 KJCE COc1cccc([C@@H](C)CC(=O)N[C@@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867109352 BLFBSIABEMHGJI-BVZFJXPGSA-N 530.646 4.841 10 10 KJCE COc1ccccc1CCN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C)n2)CC1 1868481587 WNTLKZMKBFASOI-UHFFFAOYSA-N 533.632 4.677 10 10 KJCE C[C@H]1c2[nH]cnc2CCN1c1cc(Nc2cccc3c2C(=O)c2ccccc2C3=O)nc(-c2cccnc2)n1 1868563932 KATRKXRTOHEVTP-KRWDZBQOSA-N 513.561 4.904 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@H](C)c3ccc(Cl)cc3)CC2)cc1 1868679318 UJACUTMMECBSQB-CHJDUVSTSA-N 578.109 4.844 10 10 KJCE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869000712 YOLKSOUJGGXYFP-DEOSSOPVSA-N 546.716 4.550 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2c2nc3ccccc3s2)n1 1869097883 AEMIWMQRRMJKND-DEOSSOPVSA-N 530.698 4.952 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869261239 BFHDAVIIANPDRK-UHFFFAOYSA-N 559.118 4.953 10 10 KJCE COc1ccc(OCCN2C(=O)C(NCc3ccco3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873163981 GNMBOAKKOQEIAA-UHFFFAOYSA-N 511.578 4.644 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911381 UUDIWDMUSWNJQR-NEZXNRQRSA-N 576.737 4.739 10 10 KJCE CN(C)c1ccc(CNS(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)NCc4ccc(N(C)C)cc4)cc3)cc2)cc1 206827921 YSCZQSSHTGVESP-UHFFFAOYSA-N 594.759 4.568 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2C(=O)OC)cc1 1860763913 RDGDBVAZUDQYCE-RAKJYXHLSA-N 569.724 4.637 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007322 KMPWJPQEVWSMMZ-KBMIEXCESA-N 520.630 4.770 10 10 KJCE CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865031766 NVZMPBIXIRDWNQ-AREMUKBSSA-N 545.599 4.699 10 10 KJCE CCc1nn(CC)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865128882 NWRCBXKASYQKOO-AREMUKBSSA-N 543.712 4.815 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867620215 AVLNHSCJYWWZQV-SVXHESJVSA-N 609.771 4.791 10 10 KJCE CCC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867859552 LZMLWLWQESFDRG-JWQCQUIFSA-N 576.523 4.599 10 10 KJCE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 1873170640 JLARFSYUZKRRDK-UHFFFAOYSA-N 569.658 4.672 10 10 KJCE Cc1cc([N+](=O)[O-])ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN(C)C)C1=O 1873424934 LRCYNYYHRUZOPC-UHFFFAOYSA-N 515.614 4.845 10 10 KJCE C[C@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)C1 2314414099 PPFODIQDDVQLLX-INIZCTEOSA-N 511.072 4.986 10 10 KJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110076709 GUBUTOGKABCKIJ-FXBPSFAMSA-N 560.705 4.500 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864012972 NEXHJXRDJKGNLO-NRFANRHFSA-N 531.440 4.823 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864019590 MXAAWFGIAPQZGX-RUZDIDTESA-N 545.039 4.861 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864020240 XBPXZLKLNWJKCL-XMMPIXPASA-N 549.002 4.709 10 10 KJCE COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021417 BMVCBENZMPLOPO-QHCPKHFHSA-N 547.011 4.832 10 10 KJCE NC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1865034229 RTDSSDOCZLFPKW-HXUWFJFHSA-N 546.521 4.598 10 10 KJCE COC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)sc(C)c1-c1ccccc1 1865971555 IEXGINDRZQSESB-JWQCQUIFSA-N 587.606 4.984 10 10 KJCE COC(=O)c1c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)sc(C)c1-c1ccccc1 1866023209 JTZHRGCXQLXDNO-UHFFFAOYSA-N 513.369 4.507 10 10 KJCE COc1ccc(CCCC(=O)N[C@@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1OC 1866786383 QNHBQDNDJFRNHL-DEOSSOPVSA-N 560.672 4.679 10 10 KJCE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(-c2cccnc2)on1 1867164188 NEJOALJSYVCQNH-MHZLTWQESA-N 528.524 4.622 10 10 KJCE COc1ccc(CCCN2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C(C)C)n3)CC2)cc1 1869094552 ZPWJHTIDEDOHBH-UHFFFAOYSA-N 544.744 4.699 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOC(C)C)cn3CCC3=CCCCC3)CC2)cc1 1870551680 VNXDZLNRPWNODL-UHFFFAOYSA-N 509.691 4.873 10 10 KJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(CC(=O)OC(C)C)cc4)cc3)CC2)cc1 1872884018 HFQFMFWKGSKMRF-UHFFFAOYSA-N 501.627 4.764 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(OC(F)(F)F)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425620 IQROFYWBCHYWMO-UHFFFAOYSA-N 568.596 4.907 10 10 KJCE CCOc1cc(C=C2C(=N)N3C(C)=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347318 GYDPUDJATSHJCZ-UHFFFAOYSA-N 506.584 4.668 10 10 KJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)c2C)cc1 2297484304 HBNMEXRPEWECMJ-UHFFFAOYSA-N 517.607 4.501 10 10 KJCE COc1cccc2c1O[C@H](C)C(C=C1SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C1=O)=C2 2314450613 HDCSSAYMADWEJX-MRXNPFEDSA-N 505.621 4.606 10 10 KJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781306 BMLDSSKUHZKUEG-BKUYFWCQSA-N 522.652 4.735 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 207314462 DCOLHPBSKIUTBJ-SFQUDFHCSA-N 500.627 4.735 10 10 KJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OCC)[C@H]1c1ccc(O)c(O)c1 526529885 GVRCMLIBTUBRMD-XMMPIXPASA-N 505.523 4.739 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)ccc1OCC(C)C 1084482693 ZNPMUSBLAKWJER-YVLHZVERSA-N 501.377 4.776 10 10 KJCE Cc1cccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1C 1860826503 FFRJOQXFKIAMRB-LPYMAVHISA-N 507.637 4.963 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(Cl)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008503 LPCIVNYVHQGIGR-SANMLTNESA-N 545.039 4.666 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864017458 MRXLSOHJBVYLRD-FQEVSTJZSA-N 517.413 4.764 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864021995 SSFNHQXLRLSPCJ-VWLOTQADSA-N 510.594 4.753 10 10 KJCE CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867911440 ZFGPWVBXGLALQJ-JWQCQUIFSA-N 562.136 4.509 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869259387 GCOPVFCJWYMFAL-GDLZYMKVSA-N 573.072 4.949 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCCc5ccc(Cl)cc5)CC4)nc(C)n3)CC2)cc1 1869292623 BZYUQABFLKDLMO-UHFFFAOYSA-N 521.109 4.528 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5ccc(C)cc5)[nH]c4c3)CC2)cc1 1872825183 QCKCYNWIEJPBSI-UHFFFAOYSA-N 515.639 4.573 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Br)c1O 2297341363 WUOONKIYORZYRB-UHFFFAOYSA-N 500.132 4.527 10 10 KJCE COc1cc(OC)c(-n2c(C)cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c2C)cc1Cl 2297469930 FZBSOZQJJQYXTF-UHFFFAOYSA-N 521.002 4.827 10 10 KJCE Cc1c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 110520084 JIVRVWKCIWDJNL-HUBZVCNYSA-N 555.729 4.854 10 10 KJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OCC)c2)[C@@H]1c1ccc(O)c(O)c1 526528261 SXDCFWWHJBRHKG-VWLOTQADSA-N 505.523 4.739 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 1084055722 BHTBSGRCNFBRSL-GRSHGNNSSA-N 525.876 4.641 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864018557 NYPIJXYWUVQNAH-VWLOTQADSA-N 532.616 4.745 10 10 KJCE CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1865888200 POFROGMNTCPTDX-UHFFFAOYSA-N 527.396 4.897 10 10 KJCE CCC[C@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866874781 GIDJOLMPXUUSTA-QFIPXVFZSA-N 522.605 4.944 10 10 KJCE Cc1ccc(NC(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c(C)c1 1871239174 DKGQPTBGEKMBJD-UHFFFAOYSA-N 512.610 4.831 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cccc(C)c4C)[nH]3)CC2)cc1 1871594921 XAITXVFCBZBVOO-UHFFFAOYSA-N 513.690 4.713 10 10 KJCE COc1ccc(CCN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873164379 ZAGQDJSRSWPIRF-UHFFFAOYSA-N 536.632 4.619 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1 2296073656 RHONJWKGNCHYAT-UHFFFAOYSA-N 513.579 4.606 10 10 KJCE COC(=O)c1cc(-c2ccc(C=C3C(=O)NN(c4ccc(Br)cc4)C3=O)o2)ccc1Cl 2297296495 GWOGKICARAWQSG-UHFFFAOYSA-N 501.720 4.611 10 10 KJCE COc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1Br 2313548938 JKTAKMHHPFWSOR-UHFFFAOYSA-N 508.166 4.503 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 2313556209 RABYDTAYDCMQFP-UHFFFAOYSA-N 609.385 4.551 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccccc2F)c(I)c1 2313558069 RWSMAIFCOTVEIZ-UHFFFAOYSA-N 560.294 4.815 10 10 KJCE COc1ccc([C@@H](CN2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)SC2=S)N(C)C)cc1 2323879817 IOPSBIBOPZOCPP-QGZVFWFLSA-N 523.474 4.676 10 10 KJCE CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2366904859 XTHWVDIUZKBRAG-SANMLTNESA-N 500.595 4.936 10 10 KJCE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 40066829 MEFRWVDHYRDIHM-UUYOSTAYSA-N 510.685 4.916 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)cc1 100860385 CBRRXDPEZGPVPK-LHLOQNFPSA-N 601.729 4.613 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377602 JIXGFOMJWDWZCK-TURZUDJPSA-N 575.662 4.787 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1 102550038 NVHZHTVBCPXKFJ-CGVBMLBPSA-N 527.606 4.914 10 10 KJCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 252670840 LUKBGHJLQQTIOG-SANMLTNESA-N 554.112 4.695 10 10 KJCE Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c1C 253573201 RDOKMUDFZPZBMA-ZRBLBEILSA-N 530.374 4.761 10 10 KJCE CCN1C(=O)C(=c2sc(=C/C=C3\N(C)c4ccc(-c5ccccc5)cc4C3(C)C)c(=O)n2CC)SC1=S 254344838 RGFHBSUAYKFYKX-HMPPOKNTSA-N 547.771 4.677 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 1084529857 KEFWJKXTVCPXKW-PDGQHHTCSA-N 588.398 4.849 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009118 ZPAJYZMPDWTLCY-MYUZEXMDSA-N 524.621 4.785 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864018992 GDIKOYJDUXCWCH-QFIPXVFZSA-N 511.022 4.890 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(C)c4)oc3C)CC2)cc1 1868638004 XBUHPHABEGIQHO-SSEXGKCCSA-N 552.675 4.586 10 10 KJCE CCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(C(C)C)cc(C(C)C)c2)[nH]1 1871671364 NUYNKYSQTFORME-UHFFFAOYSA-N 503.695 4.863 10 10 KJCE O=C(O)CCCCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 2314504447 QRICUVHDEZUPOM-UHFFFAOYSA-N 530.027 4.986 10 10 KJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 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CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 101013680 XRWVTGIJXOLOLE-YMNHORQBSA-N 568.746 4.558 10 10 KJCE COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1OC 102763862 YSOJWBQAFNKMLH-BBXQSELCSA-N 543.605 4.614 10 10 KJCE C#CCOc1c(Br)cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1OCC 108893165 HNMPTMKVZXWZOZ-GRSHGNNSSA-N 518.410 4.994 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)O)C2=O)c1 213195062 AQVPGYHMWKGYCF-ODLFYWEKSA-N 509.609 4.513 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c2C)sc(C)c1C 1083906135 PYWZZIFLBCHNRB-NDENLUEZSA-N 509.559 4.755 10 10 KJCE CCOc1ccc(CC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)cc1 1860506314 SODBPSVFGVFFID-UHFFFAOYSA-N 505.530 4.689 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867670516 PWFWOYYQXWKKBC-IOWSJCHKSA-N 553.707 4.624 10 10 KJCE CCCN=c1nc(Nc2ccc(Oc3ccccc3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871508189 QBXIDTRCJNSGHE-UHFFFAOYSA-N 511.630 4.987 10 10 KJCE CCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 2040467089 WRKHEFGMDMKAKK-UHFFFAOYSA-N 505.543 4.672 10 10 KJCE COc1ccc(C=C2SC(=O)N(CCCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=S)cc1 2297297331 HAXMLHQOHNPLTH-UHFFFAOYSA-N 522.652 4.749 10 10 KJCE CCOc1ccc(C=CC(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC 2297332718 BMNIDZCRWUVUAH-UHFFFAOYSA-N 524.625 4.719 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 2314400203 KYQDDOXASCMXME-UHFFFAOYSA-N 520.680 4.527 10 10 KJCE Cc1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1 101964817 IGPLEWBQSPXNBP-UNOMPAQXSA-N 549.468 4.841 10 10 KJCE COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 103599891 GCTWUVKVBXSFMU-RWQHCGDJSA-N 562.585 4.675 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccccc3)SC2=S)cc1OC 143273849 SDLJFQMTDXANBC-MYYYXRDXSA-N 560.701 4.639 10 10 KJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526567706 YBLKXGALRVPIHY-MHZLTWQESA-N 532.593 4.630 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526623328 DIAJXTUDDLQVSS-HHHXNRCGSA-N 519.550 4.668 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526623895 NESOYJVECTYNPM-MHZLTWQESA-N 503.551 4.905 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1083955967 DCLHJWLCPVQAMO-GRSHGNNSSA-N 570.327 4.750 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864012673 GFCMPOKURRNEPV-SANMLTNESA-N 542.611 4.754 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864017594 PPIOXKYWQHBFRB-HSZRJFAPSA-N 547.011 4.502 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864018782 CLVWNFCELPFJCS-DEOSSOPVSA-N 531.012 4.569 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864020312 ARAIMZJBWFDMOV-GAJCKYOHSA-N 520.674 4.682 10 10 KJCE CCCc1nn(CC)c2c1[C@@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865095609 LPDKFLRQDXUAEF-XMMPIXPASA-N 536.076 4.561 10 10 KJCE CN(C)c1ccc([C@H](NC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c2nccn2C)cc1 1865888746 VLYYYKGPPIPKIW-FQEVSTJZSA-N 555.249 4.602 10 10 KJCE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866677410 CRYXFNRIBIHKPB-JGCGQSQUSA-N 551.599 4.900 10 10 KJCE O=C(N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1 1867158779 IUNZMFPEMZPTDD-MUUNZHRXSA-N 587.661 4.918 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(F)c(F)c2F)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867813100 IQLSPLUYBVNNQT-FQLXRVMXSA-N 610.677 4.780 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(-c4cc5ccccc5[nH]4)cc3)C(C)C)CC2)cc1 1868907448 IFLKRKOYIDHTAN-LJAQVGFWSA-N 510.638 4.947 10 10 KJCE CCC[C@@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868994849 SRAHNSMMCIUKNT-HHHXNRCGSA-N 532.685 4.958 10 10 KJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)cc1OC 1873166648 UYODBSFWCOSGGJ-UHFFFAOYSA-N 513.638 4.966 10 10 KJCE COCCCN1C(=O)C(NCC2CCC(C(=O)OC(C)C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170740 ODCHQNHWROKZOJ-UHFFFAOYSA-N 535.685 4.558 10 10 KJCE COc1ccc(CNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3Cc2ccco2)cc1 1875235363 NMRYVUBOSRUVRY-UHFFFAOYSA-N 552.635 4.664 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)Nc3ccc(Cl)c(Cl)c3)C2=O)ccc1OCC(=O)OC 2297576640 YYDOMOZSHKHRAV-UHFFFAOYSA-N 556.449 4.882 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 2313558513 CMWIWHVBKUTNSV-UHFFFAOYSA-N 630.366 4.773 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)C2=O)cc1 2314603328 JDZYCYOMQALQQQ-UHFFFAOYSA-N 578.741 4.800 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 103859890 FHOHRISFTLUVGG-JAIQZWGSSA-N 552.337 4.611 10 10 KJCE CC[C@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 105642898 UVJDEBPZEBJNRM-HLJDWQABSA-N 600.770 4.975 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 109953868 KNWGKELIVIYQSY-ONUIUJJFSA-N 601.729 4.879 10 10 KJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)Nc1ccc(Nc2ccc(OC)cc2)cc1 205941245 WBVDDUWEHMIMDT-YZSQISJMSA-N 515.526 4.999 10 10 KJCE COC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)sc(C)c1-c1ccc(C)cc1 1866007060 HLGWZZWSCVAEHQ-UHFFFAOYSA-N 549.070 4.745 10 10 KJCE COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)nc(O)n2)cc1 1866623911 XHPGOZBRJFPKJV-GDLZYMKVSA-N 584.588 4.743 10 10 KJCE CN(C)[C@@H](C(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccccc1 1866703138 NDVVEFFZLXGZSO-WUFINQPMSA-N 517.585 4.561 10 10 KJCE CC[C@@H](NC(=O)[C@@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866997705 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COc1ccc(C=C2SC(=S)N(CCC(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)C2=O)cc1 2314625154 FZZABRSVZSLPGH-XMMPIXPASA-N 539.723 4.639 10 10 KJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(C)cc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139791 SZXIURCONUGCRN-UHFFFAOYSA-N 517.548 4.985 10 10 KJCE CC[C@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 4214686 RAGOYPUPXAKGKH-FEIPFGSNSA-N 700.791 4.573 10 10 KJCE in-vitro O=C1/C(=C\c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 33616873 LSAATGKGSWVMHS-XQNSMLJCSA-N 510.644 4.659 10 10 KJCE CCOCCCN1C(=O)/C(=C\c2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 33780912 FHVLJZNSDKEFJT-XSFVSMFZSA-N 500.690 4.621 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59302959 ASVOIRMDNSAIJJ-GRSHGNNSSA-N 514.390 4.930 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3ccc(F)cc3)C(=O)c3ccccc3S4(=O)=O)CC2)cc1 101415947 XNUGMQUBPGFTJD-UHFFFAOYSA-N 585.657 4.790 10 10 KJCE 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CN(C)[C@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 1867278873 CFRIDQLKJMBERB-PXJZQJOASA-N 578.694 4.517 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)CCc3csc(-c4ccccc4)n3)CC2)cc1 1868900459 UKFJHULPZKBXSN-LJAQVGFWSA-N 572.706 4.967 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1 2313559782 SPFDJYKCHTYZIM-UHFFFAOYSA-N 507.340 4.703 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCC[C@H]4C)nc4c(C)cccn4c3=O)SC2=S)cc1 2314414429 YSKUZCJCRLVGGF-GOSISDBHSA-N 520.680 4.792 10 10 KJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314837024 NFAQVBFZYHOFFC-GFCCVEGCSA-N 535.441 4.560 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)CC(C)C)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 37423109 NCRKVGMTKAGVJE-UHFFFAOYSA-N 515.676 4.796 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(C)c1 47133172 GOZLDQYYBOUTDB-ZHZULCJRSA-N 508.625 4.982 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1 103862839 OVSZNAVNSTWGJX-WYQLEPPDSA-N 567.711 4.790 10 10 KJCE COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)c1 104628647 UTUBFIVYODGEMT-JAXLGGSGSA-N 522.340 4.697 10 10 KJCE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(Br)c1 105628983 YEJMIYQJMOJDAP-VABKMULXSA-N 530.374 4.761 10 10 KJCE CCc1sc(NC(=O)C(=O)Nc2ccc(F)cn2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860750652 YHJNOTXUGWHMMG-UHFFFAOYSA-N 506.353 4.638 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012760 IRAMDHFOIGCLSS-RUZDIDTESA-N 528.609 4.516 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018729 BHCDVSQBYVUNAU-VWLOTQADSA-N 545.039 4.861 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864018747 BTCQMLSUWXXPPF-XMMPIXPASA-N 531.012 4.569 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865034342 UFSSTHWXERVSDE-NRFANRHFSA-N 542.558 4.767 10 10 KJCE C[C@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885721 MHNWEVIOMQAMTP-BIBXISHDSA-N 569.276 4.990 10 10 KJCE CC(=O)NCCN1C(=O)C(Nc2ccc(N3CCC(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422191 KNSIVKZSHHPDJO-UHFFFAOYSA-N 539.680 4.659 10 10 KJCE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN3CCCC3)C2=O)c1 1873424403 FCMXTZLDGDBFMD-UHFFFAOYSA-N 540.664 4.949 10 10 KJCE COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)c1C 1874192728 RMJARIKMEHCTBR-UHFFFAOYSA-N 505.600 4.563 10 10 KJCE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413795 IAUSQVMBSGCJSS-MRXNPFEDSA-N 508.644 4.780 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314427835 YMIAVTSPJFYQJR-IBGZPJMESA-N 521.645 4.674 10 10 KJCE Cc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 33782247 BNWQDXXPXIBSLP-DZCSLESKSA-N 501.955 4.930 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 54310938 NNXFHARAUOEIHE-OFVILXPXSA-N 500.705 4.814 10 10 KJCE CN(C)c1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1 101316043 KFKUSOPGYQIXLQ-QHCPKHFHSA-N 529.822 4.845 10 10 KJCE CCCC[C@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862173182 ZUJWLYVAHWLCTB-SANMLTNESA-N 509.691 4.704 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864021548 CMWHWAABHCEYKM-QKKBWIMNSA-N 542.558 4.784 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029736 UKUUIZCNHDEHSW-DLEQGYHRSA-N 524.621 4.944 10 10 KJCE O=C(CCc1ccccc1F)N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866596470 HJBZKIBVIKFKMA-HHHXNRCGSA-N 520.560 4.900 10 10 KJCE CSCC[C@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866654146 AYGBNDIXBIHDOZ-DEOSSOPVSA-N 571.630 4.984 10 10 KJCE CC[C@@H](NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866672642 PJGXZNNQEPNEGQ-JOCHJYFZSA-N 537.572 4.510 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867578850 PRDHQNGXCSDERF-JPBRBXQBSA-N 609.771 4.962 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(C)c5C)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004564 GSDSWWKKWNKNRZ-UHFFFAOYSA-N 535.696 4.817 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868868188 KVHYCZWOCWISMU-WDYNHAJCSA-N 548.083 4.624 10 10 KJCE CCc1ccc(-c2nc(CC(=O)N[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)c(C)o2)cc1 1868992900 MFAUPPVYVUIBEJ-HKBQPEDESA-N 552.675 4.970 10 10 KJCE Cc1ccccc1NC(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871156920 ZGZQGKNBLJPGAZ-QFIPXVFZSA-N 512.610 4.911 10 10 KJCE COc1ccc(CN2C(=O)C(NCc3ccco3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873163970 FYBVEEOCZIBGGP-UHFFFAOYSA-N 511.578 4.774 10 10 KJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(Br)c1OCCOc1cccc(OC)c1 2293299482 XSJNBMFGATYJIS-UHFFFAOYSA-N 510.431 4.803 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296196241 BMLCZYDTOPEFPX-UHFFFAOYSA-N 533.723 4.721 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 2296724128 YUOFNMQTZJCFHP-QFIPXVFZSA-N 546.649 4.689 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(c5ccccc5F)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314408549 CCICZXIXABPPBR-UHFFFAOYSA-N 615.756 4.921 10 10 KJCE COCCCN1C(=O)C(=Cc2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S 2314507911 MPBSSHZQCNSHOT-UHFFFAOYSA-N 502.017 4.686 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N(CC)CC 101744022 MBXYOGMMVSGTQC-KGENOOAVSA-N 548.086 4.532 10 10 KJCE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 103398536 BDNGOJAUFPLWCV-HMAPJEAMSA-N 509.360 4.833 10 10 KJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccc(OC)c(OC)c2)SC1=S 143267230 ZPJPBLUFWZAFRC-HAHDFKILSA-N 540.711 4.629 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 150586743 SSLUDALSIQIHDI-BRPDVVIDSA-N 641.819 4.786 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526566491 JUSITXCXVAINLL-DEOSSOPVSA-N 504.539 4.767 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864011686 JYPKJVLSTSWVCL-NBGIEHNGSA-N 522.621 4.960 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864014238 QBJAIQYTINNGLV-JOCHJYFZSA-N 511.022 4.567 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864016930 ALSAXYVSZAMCDF-DEOSSOPVSA-N 531.012 4.553 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865027992 SICZOXPNQPPKKO-MUUNZHRXSA-N 536.632 4.768 10 10 KJCE Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867824171 ANRIHMYJIRDSLA-LOYHVIPDSA-N 512.698 4.746 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc5C4)nc(C(C)(C)C)n3)CC2)cc1 1867969009 KYSHYHWMOSVKOB-UHFFFAOYSA-N 517.674 4.689 10 10 KJCE CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)cc1 1873420598 RKESYTFUMZRCOG-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccccc1F 2313556104 MTZSRSDDMKRGFY-UHFFFAOYSA-N 569.339 4.571 10 10 KJCE COCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414220 SRJOCJFRFDPIRA-UHFFFAOYSA-N 515.060 4.506 10 10 KJCE CN1C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378764 IPDLYFDBPPQKDB-PCLIKHOPSA-N 548.064 4.881 10 10 KJCE N=C1/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 103621748 XMSITJWVVZOJCN-UDSLSEBSSA-N 517.954 4.710 10 10 KJCE Cc1c([C@@H]2N[C@](Cc3ccc4ccccc4c3)(C(=O)O)[C@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@H]32)c(=O)n(-c2ccccc2)n1C 1088595958 ZNVRXSDBIBWLMV-RQCKMJQNSA-N 730.777 4.925 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864010859 PRUYDAHKEQTAGT-XMMPIXPASA-N 502.615 4.688 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864013255 UDHGCUWDYSSFIK-WSNOQYBDSA-N 530.669 4.993 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015756 FAKBAVCBSMRSOU-RUZDIDTESA-N 524.621 4.733 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864020060 VEJAMNKXYAYKIH-HSZRJFAPSA-N 541.048 4.517 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865033423 ZDZSXJKTUQIBOI-SANMLTNESA-N 538.604 4.529 10 10 KJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(OC)c(OC)c(OC)cc3[nH]2)sc(C)c1-c1ccccc1 1866545900 AACQOPYZVMSBNN-UHFFFAOYSA-N 508.552 4.630 10 10 KJCE CCCC[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919427 PTSCFKNYABNFJS-KAYWLYCHSA-N 541.623 4.879 10 10 KJCE 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CCCC(=O)N[C@H](Oc1ccc(C=C2SC(=S)N(CCCOC)C2=O)cc1)C(Cl)(Cl)Cl 2296725454 UFELZIAMOSAEKU-GOSISDBHSA-N 525.907 4.916 10 10 KJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 2297415549 ZNBDEEVOCBCSEE-SANMLTNESA-N 507.568 4.561 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(NC[C@@H]3CCCO3)nc12 2314413568 AZFCWAXIBZQQEO-KRWDZBQOSA-N 527.071 4.649 10 10 KJCE O=C(O)CCOc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1 2314930737 IMLFVJDTADLRST-UHFFFAOYSA-N 534.615 4.665 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccs4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 2331397947 LICQZZBMIOVSCZ-UHFFFAOYSA-N 521.046 4.969 10 10 KJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\NCC1CCN(C(=S)Nc2ccccc2)CC1 9360465 KRGKHTULBUBTQY-NKFKGCMQSA-N 506.632 4.680 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Br)c1O 38176382 SOLACFHAFAJISU-VESRFHCQSA-N 517.420 4.620 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526480142 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534.616 4.736 10 10 KJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2nc3ccccc3[nH]2)C1=O 1873167561 MIJCDXVQCSXCCO-UHFFFAOYSA-N 538.696 4.615 10 10 KJCE CCOCCCN1C(=O)C(Nc2ccc(C)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426301 ZAUWHMCMAJATFK-UHFFFAOYSA-N 502.571 4.929 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1C[C@@H]1CCCO1 2296541885 DBURMMRZGFHUQA-FQEVSTJZSA-N 505.621 4.691 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829259 STBLUYBFZNXTJU-RCZSKKKRSA-N 558.747 4.519 10 10 KJCE COc1cccc(-c2cc3c(n2-c2ccc(C(=O)NCCCN4CCN(C)CC4)cc2)CCCCC3)c1 33114817 ADKRBBZOWGKKMZ-UHFFFAOYSA-N 500.687 4.789 10 10 KJCE CCN1C(=O)/C(=c2\s/c(=C\C=C3\N(C)c4ccc(-c5ccccc5)cc4C3(C)C)c(=O)n2CC)SC1=S 100199188 RGFHBSUAYKFYKX-IDMRNFSGSA-N 547.771 4.677 10 10 KJCE CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/c1cc(Cl)c(O[C@H](C)C(=O)OC)c(OCC)c1 102163022 UILRHLJAIOHFTQ-SKCQWOFPSA-N 514.962 4.964 10 10 KJCE Cc1c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 110520180 DYIMIQBHNIXJOL-WFSKJOQISA-N 573.719 4.994 10 10 KJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2cccc(OC)c2OCC)[C@@H]1c1ccc(O)c(O)c1 526529883 GVRCMLIBTUBRMD-DEOSSOPVSA-N 505.523 4.739 10 10 KJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1N=Nc1ccc(S(=O)(=O)O)c2ccccc12 1084329498 DFYGTEYIWRLCOY-NRFANRHFSA-N 536.551 4.993 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864008390 JHYYOROPXJGOQQ-OWJWWREXSA-N 516.985 4.817 10 10 KJCE NC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014387 UCJATBVZEAVIGG-SANMLTNESA-N 530.584 4.962 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864018652 PUESRHOUWMAXDK-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865025885 DSIKVEXGHPTSBS-VWLOTQADSA-N 531.012 4.658 10 10 KJCE 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NVHGSGLYTOTPOX-KRWDZBQOSA-N 508.644 4.922 10 10 KJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)o2)cc1 2314435451 HMGFPGZQOJITHC-UHFFFAOYSA-N 500.579 4.955 10 10 KJCE COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)C2=O)ccc1OCc1ccc(C)cc1 2314832475 HRHNBTFLTFAPCY-QFIPXVFZSA-N 588.663 4.814 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314935055 MVXVDPSXDLWNMK-INIZCTEOSA-N 521.016 4.527 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 102679332 XVUISTFKHOAFOY-WCWDXBQESA-N 549.674 4.753 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC3CCCCC3)nc12 110077414 JMHQHXKQJMWYHQ-QJOMJCCJSA-N 586.743 4.951 10 10 KJCE Cc1ccc2nc(N3CCc4ccccc4C3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110552994 WOGUJSLCXPTOPP-ONUIUJJFSA-N 620.760 4.769 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 213195808 GMCIGJDSIQEANZ-FPJJECCMSA-N 569.730 4.615 10 10 KJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526464879 AKHDFYZGRUYUHX-RUZDIDTESA-N 505.523 4.739 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc(OCC(C)C)cc3)c3ccccc3)CC2)cc1 1862262706 PVXOQRUJXREYEF-NDEPHWFRSA-N 501.627 4.550 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019740 PYTUSHWOZHIORX-HSZRJFAPSA-N 516.985 4.510 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019932 RPJNXYMIMLICQI-DEOSSOPVSA-N 531.012 4.819 10 10 KJCE COc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867802012 PTKYEQKODBKOEJ-LMSSTIIKSA-N 621.710 4.502 10 10 KJCE CCC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867859554 LZMLWLWQESFDRG-RPBOFIJWSA-N 576.523 4.599 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868846971 WMHNWOGXYXPPPR-IHLOFXLRSA-N 513.682 4.820 10 10 KJCE 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579.165 4.864 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@H]3c3ccc(SC)cc3)CC2)cc1 4766886 YTCFANPDNIXXOY-WDYNHAJCSA-N 561.704 4.694 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)N=C2C)cc(I)c1O 16694278 DEYKYTJICRUMBT-NSIKDUERSA-N 513.129 4.574 10 10 KJCE CN1C(=O)/C(=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)c2cc(Br)ccc21 101077424 BHKLPASSCOJQBZ-PFONDFGASA-N 510.232 4.964 10 10 KJCE COCCN1C(=O)/C(=C\c2ccc(O[C@@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 102856000 CWGNYXTTZQWBBH-HAZIXKIPSA-N 535.858 4.632 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 103750995 LRQCYSUNVKKGCI-HRIDGTDGSA-N 589.689 4.752 10 10 KJCE O=C(NCCCN1CCOCC1)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 606672169 WDPPMTGKHPFSPB-QNGOZBTKSA-N 535.613 4.563 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1ccc(F)cc1 1084231357 CWYZNORILRWWAF-LSCVHKIXSA-N 569.339 4.571 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864020427 YVEJWUNLKWXPAE-KPCPBYSCSA-N 516.642 4.603 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864021817 RCHYBWNAEGYKRU-NSYGIPOTSA-N 516.642 4.718 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865028552 WRXZNGVFZHJXAC-QFIPXVFZSA-N 529.424 4.996 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1865031807 OIGPDVOQVWHCGB-VWLOTQADSA-N 522.605 4.717 10 10 KJCE CC[C@](C)(NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866672739 RMXOHJSLIACDEZ-YTTGMZPUSA-N 551.599 4.900 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3nc[nH]c3[C@@H]2C(C)C)n1 1868254075 CVAAQKKPMKDPIX-NDEPHWFRSA-N 522.609 4.667 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1869150707 IPWVSKMAGGONIZ-UHFFFAOYSA-N 524.673 4.529 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4ccc(C)c(F)c4)[nH]3)CC2)cc1 1871579794 IPQXLVIVWSCLJU-UHFFFAOYSA-N 517.653 4.544 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1Cl 1873425660 JZFXGABNKBQDOB-UHFFFAOYSA-N 549.071 4.670 10 10 KJCE CCC1=NN2C(=N)C(=Cc3cc(Br)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 2293160997 GNHHMNPTVDHMSN-UHFFFAOYSA-N 529.416 4.945 10 10 KJCE N=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N=C2SC(COc3ccccc3)=NN12 110458022 STDVXOIKUOUJSF-JIGGIXHTSA-N 544.505 4.993 10 10 KJCE COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 1084656624 YZMJSJSGFJUARC-NTEUORMPSA-N 508.166 4.503 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 1615296205 NPCCHNFZUYVCPF-PFEDQQCQSA-N 572.774 4.909 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864007102 GDAYPYQNQBHUAO-NRFANRHFSA-N 527.364 4.503 10 10 KJCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864014254 QNVHOBKSGMVEEK-NRFANRHFSA-N 530.547 4.687 10 10 KJCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@]4(C)C[C@H]2CC(C)(C)C4)[C@H]3c2ccc(O)c(O)c2)cc1 1865028418 UMZOUBHUNKAACD-IBZKQJHLSA-N 544.652 4.722 10 10 KJCE CC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866652976 SBQKABZZGHSIQE-HSZRJFAPSA-N 521.573 4.810 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873161995 ANSHAQZNOALYDF-UHFFFAOYSA-N 535.692 4.592 10 10 KJCE COc1ccc(N2CCN(C(=O)c3nn(-c4ccc(OC)c(Cl)c4)c(=O)c4c3c3ccccc3n4C)CC2)cc1 101414709 ALYLITWYPJWNBV-UHFFFAOYSA-N 558.038 4.510 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 164104669 YIHHKXDINZXJNI-MKWGYRPRSA-N 639.515 4.729 10 10 KJCE O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860553982 FGXFSNVENVPOFU-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCc1sc(NC(=O)C(=O)NCCOc2ccc(OC)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763324 FEQPNGLAFKGICH-UHFFFAOYSA-N 561.454 4.669 10 10 KJCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864013900 ILKVZTRSNGESIU-RUZDIDTESA-N 524.621 4.867 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccncc1)=C(N)O2 1864013916 IXRMAANMOHNGBL-HHHXNRCGSA-N 547.615 4.795 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016869 ZDTBNGDSDIGINH-VWLOTQADSA-N 524.621 4.867 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867523026 GQQVNGPDCFWWOH-QTQRRKOQSA-N 601.792 4.923 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868749976 BSEFUSDMJHSOAW-XGLNBYONSA-N 536.047 4.967 10 10 KJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCOCCO)cc1OCc1ccccc1F 1871246369 AWRLOOJXSLTYAU-UHFFFAOYSA-N 503.574 4.931 10 10 KJCE CCCCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425517 CFYVOGJZSQXOIH-UHFFFAOYSA-N 542.680 4.797 10 10 KJCE CCOC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873951803 QPDYOSAFDZHBKE-NDEPHWFRSA-N 508.578 4.604 10 10 KJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(Cl)c1 1892175679 ACLFYTHTGACHIK-LNBJVWSJSA-N 524.086 4.535 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 1084359489 BMVNLBDWJHPZBF-UYRXBGFRSA-N 511.372 4.999 10 10 KJCE CCc1sc(NC(=O)C(=O)Nc2ncc(C)s2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860768902 JIIXYAPRKQCRQK-UHFFFAOYSA-N 508.419 4.869 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1864007468 NMKHHBCTNLWGJW-RUZDIDTESA-N 531.012 4.873 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864011735 KQSSEOUOUMYDCM-SQJMNOBHSA-N 522.621 4.960 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017993 AANHVOJKVRNLFM-XMMPIXPASA-N 520.605 4.578 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N(C)Cc3ccccc3)ncnc21 1873553040 FHOFZKNUVAHZTO-UHFFFAOYSA-N 512.658 4.839 10 10 KJCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cccc(Cl)c1Cl 2297509116 YIYADOKPLOAXOA-UHFFFAOYSA-N 546.476 4.939 10 10 KJCE CCCc1nc(N2CCN(CC=Cc3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 2331045480 XPGKOJUTANQFFZ-UHFFFAOYSA-N 512.702 4.600 10 10 KJCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)c1 33333539 APAPBAQUBXOZMV-OCOZRVBESA-N 513.644 4.794 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100860455 GMVVTJPHEVEZEV-HYARGMPZSA-N 538.695 4.532 10 10 KJCE O=C(O)CCCCCNC(=O)CCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101967929 JQMKPDQQVMSYHI-GDNBJRDFSA-N 594.347 4.660 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110531947 KZHCKQNURXMOSH-CSGQPYJXSA-N 550.750 4.886 10 10 KJCE 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CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013737 ZLYAOGLPJWWTBP-QHCPKHFHSA-N 534.613 4.507 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016918 AIBNERIWNLBRMV-DEOSSOPVSA-N 532.641 4.914 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864023385 YOYMZCDWWOWTAB-HSZRJFAPSA-N 547.011 4.833 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867474840 DTNXTLQDQPTVMF-GMTSZFNJSA-N 681.834 4.532 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(N[C@@H]3CCCC[C@@H]3C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873170095 NWQCHJWESYOYQI-RXFWQSSRSA-N 532.685 4.963 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1F 2294353228 AZQHJCZRZRBJCQ-UHFFFAOYSA-N 531.378 4.970 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2296307064 LFTVWIAERHPYAP-UHFFFAOYSA-N 549.697 4.612 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 2297307210 NZUVEOGRTRNYQX-UHFFFAOYSA-N 522.627 4.897 10 10 KJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=Cc1c(C)nn(-c2ccc(I)cc2)c1O 2297321516 KAIXNYZWTHHBTO-UHFFFAOYSA-N 512.351 4.914 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc2c(c1)OCO2 2313558939 NIIQMTFHPGYLCD-UHFFFAOYSA-N 583.366 4.961 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccccc4)C3=O)c2C)sc2c1CCCC2 2313631294 IWFQCLUZDVNYMP-UHFFFAOYSA-N 531.634 4.873 10 10 KJCE O=C1C(=Cc2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 2314504392 LRPGPHWHDDCMIU-AWEZNQCLSA-N 500.001 4.520 10 10 KJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nnc(SCc4ccccc4C)s3)C2=O)cc1 2314578633 WVBPCZYGFYORCB-UHFFFAOYSA-N 528.706 4.987 10 10 KJCE N=C1/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 20207478 KBGQWVLSQKRZGT-QDLOHUEYSA-N 510.984 4.792 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33468029 KRGYGLXIEWTUPE-JCMHNJIXSA-N 520.680 4.793 10 10 KJCE O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CCN(Cc2ccccc2O)CC1 34683977 BRIHLEQXJFOVSE-UHFFFAOYSA-N 501.004 4.634 10 10 KJCE CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254478868 FSOIXRXMPZUADM-GDLZYMKVSA-N 555.700 4.806 10 10 KJCE CN(C)c1ccc([C@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314929 UIVUEBAMRFMWGR-QFIPXVFZSA-N 518.422 4.764 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCC2)=C(N)O3)cc1 1865033649 FNQRNQITUGWXDY-VWLOTQADSA-N 538.604 4.666 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866934685 GNWGHIDTWXMNDA-UNRZKBSHSA-N 590.607 4.996 10 10 KJCE CCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867231053 QYQXFDMTEFDFSL-HSZRJFAPSA-N 533.422 4.999 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)c2ccccc2)N2CCCCC2)cc1 1867626159 GYOOGYIIDUAKEV-QGBCWPEESA-N 701.824 4.859 10 10 KJCE CSCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867752036 HZQFWICEGLRHNP-LOYHVIPDSA-N 664.338 4.776 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CC(C)(C)c6ccccc6[C@H]5C4)nc(C(C)C)n3)CC2)cc1 1869102960 BHWLYZDFFICBHD-HHHXNRCGSA-N 540.712 4.616 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869168989 WDLZDOHRJBCKEK-PMERELPUSA-N 552.654 4.604 10 10 KJCE COC(=O)C1CCC(CN2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165672 PACKPQVYHLKKFC-UHFFFAOYSA-N 535.685 4.558 10 10 KJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccco2)C1=O 39836096 WESAFCSRDRLIGN-DEDYPNTBSA-N 505.577 4.798 10 10 KJCE COc1ccc(CNc2c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 143281749 UQDPHRGGKWFIMQ-IWIPYMOSSA-N 530.675 4.630 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCN2C(=O)/C(=C\c3cccs3)SC2=S)cc1 205610966 QTJTWZDOYUVCSF-INKLHFNDSA-N 515.726 4.613 10 10 KJCE CC[C@H]([C@H](C)O)n1cnn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 334163026 UQVXLZZMWCZLHS-KTRXSZHWSA-N 700.791 4.573 10 10 KJCE CC(C)[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 1081156917 URLYXIICWMHVLG-LTXFRBGYSA-N 508.543 4.950 10 10 KJCE CC1CCC(OC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)CC1 1860826148 BHYAXFUAOQDVGZ-FYJGNVAPSA-N 500.642 4.829 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864009984 HNLUDMOMMDRUAK-JOCHJYFZSA-N 509.006 4.643 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(C)cc4)[C@@H]3c3ccccc3)CC2)cc1 1865014751 MUWOHOVPIUZVFT-LJAQVGFWSA-N 549.675 4.600 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865030420 JLYDMOYTVYGOAL-RUZDIDTESA-N 534.632 4.920 10 10 KJCE COc1ccc([C@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868882433 UMMRSUKGBKSNFU-ROJLCIKYSA-N 571.718 4.760 10 10 KJCE 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4.822 10 10 KJCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110522048 QXGBPKFJQFUEPW-BSJBVGEKSA-N 580.776 4.992 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCCCC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 213186818 GABDTMBXXSXVNA-RGEXLXHISA-N 527.599 4.781 10 10 KJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526603859 PWLWLXWWTVNURJ-PMERELPUSA-N 526.681 4.956 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864013012 OBOQYQKKFLVFNN-DEOSSOPVSA-N 520.605 4.578 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864014034 LSEPTPGVHFIELV-JOCHJYFZSA-N 511.022 4.567 10 10 KJCE O=C(CCCC(=O)c1cccs1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866793464 CEQJTOWDNQYGKM-RUZDIDTESA-N 566.635 4.948 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3C[C@H]3c3ccccc3)cccc21 1867051369 ZUQUNSKBAKQLTG-REUBFRLUSA-N 530.580 4.637 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867452758 AIVXTLWILNETPN-SAIUNTKASA-N 639.797 4.799 10 10 KJCE COc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867606721 URXZFMSROWLYTL-URLMMPGGSA-N 579.141 4.805 10 10 KJCE CC[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867713101 NEXVNBDGKFFVKZ-DNQXCXABSA-N 505.490 4.911 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867792415 VBYORMMVYSQYGI-FJQKOURKSA-N 674.868 4.873 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869242449 OPBWEGPWQWHCKI-LJAQVGFWSA-N 573.072 4.949 10 10 KJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)Nc4cc(C(=O)OC)cc(C(=O)OC)c4)ccc3[nH]2)cc1 1872744224 ZAMVKIGSAAIMBW-UHFFFAOYSA-N 500.555 4.902 10 10 KJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC(C)C)CC2)C1=O 1873169124 ADQQRWNVNABNHU-UHFFFAOYSA-N 562.755 4.863 10 10 KJCE 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CCN(CC)CCN1C(=O)C(NCc2ccccc2Cl)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166322 LNRDYXFHXKPNJK-UHFFFAOYSA-N 505.062 4.959 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2314399296 JMIKGWRRARBKKZ-UHFFFAOYSA-N 603.770 4.588 10 10 KJCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 2314476147 JKZJUAULNRHRBT-OTPAQWSUSA-N 656.877 4.594 10 10 KJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332141155 JSBWIJSCXLZNLC-UHFFFAOYSA-N 505.914 4.858 10 10 KJCE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 33459156 WPFZIMUOTKSDLY-CJLVFECKSA-N 522.696 4.674 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=O)N=C2O)cc(Br)c1O 38173512 MITOZTUXZGYXEY-MLPAPPSSSA-N 510.138 4.823 10 10 KJCE Cc1ccc(C(=O)O)c(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)c1 210498363 CXFAYBGXJUKEQD-LDADJPATSA-N 506.552 4.915 10 10 KJCE 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205608393 KRTDXHONUUSKCC-HWEDYNCSSA-N 523.724 4.938 10 10 KJCE CCCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)cc2OC)s1 211939215 AQCOTFKUAXVCII-WOJGMQOQSA-N 530.653 4.511 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)c1 1864011520 IYUBQVUMOMGMQH-WINIVTDRSA-N 524.621 4.840 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3c(F)cccc3Cl)c2O1 1864016708 VWGYABYLBWMOAF-HSZRJFAPSA-N 546.986 4.775 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018784 CNPVYGFLCLTAFT-RUZDIDTESA-N 545.039 4.943 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@@H](C)C2CCCC2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867017710 QDGRLNAECOVTKA-HMILPKGGSA-N 552.627 4.880 10 10 KJCE CC[C@](C)(NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867076142 TVGNFDMCRFRWGH-HKBQPEDESA-N 567.671 4.663 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@@H]5C4)nc(Cc4ccccc4)n3)CC2)cc1 1869087691 WPXZAWUUAUWODH-HKBQPEDESA-N 564.709 4.961 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(OC(C)C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426331 ZSEUGRNDMYJZJJ-UHFFFAOYSA-N 542.680 4.796 10 10 KJCE COc1ccccc1NC(=O)COc1ccc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 2297561257 UUAMVPWIYCVRRT-UHFFFAOYSA-N 520.588 4.847 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314414456 ZOLFBFGNENVMQP-UHFFFAOYSA-N 585.730 4.866 10 10 KJCE CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 2314476787 VXXGFTIXPUVTDD-UHFFFAOYSA-N 538.720 4.933 10 10 KJCE O=C(CCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 2314603322 HORDLHMXZOEFFJ-UHFFFAOYSA-N 566.705 4.931 10 10 KJCE CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@H](C)N2S(=O)(=O)c2ccc(C)cc2)cc1 5947604 SAUWKANNKHSXQN-FIPFOOKPSA-N 541.739 4.932 10 10 KJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781307 BMLDSSKUHZKUEG-FYJGNVAPSA-N 522.652 4.735 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc(I)c1OCC(=O)OC 105432054 IOPYUIFWEDZFJU-WQRHYEAKSA-N 585.441 4.656 10 10 KJCE CCN1CCN(c2c(/C=C3\SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2C)CC1 110518903 RJFYEZQENWZBKA-CLCOLTQESA-N 587.812 4.504 10 10 KJCE CC1=NN(c2ccccc2)C(=O)C1=c1sc(=C/C=C2/SC(c3ccccc3)=C(c3ccccc3)N2C)c(=O)n1C 252624428 PNUGXJRBUPSYIE-WODLXJOISA-N 562.720 4.847 10 10 KJCE CCN1C(=O)C(=c2sc(=C/C=C3/Sc4ccc(-c5ccccc5)cc4N3CC)c(=O)n2CC)SC1=S 252636681 XKNPFTBNNIIILG-QMAXEOFXSA-N 551.784 4.839 10 10 KJCE CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1N=Nc1ccc2ccccc2c1S(=O)(=O)O 256005998 VCGAKRQDKWIYGA-SFHVURJKSA-N 557.393 4.515 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526601357 AXQBNCZAZZZUPG-GDLZYMKVSA-N 512.654 4.566 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864013205 SKUBVXPAUPGIIN-SANMLTNESA-N 524.621 4.615 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(Cl)cc1 1865092949 DAJDGFUTCMMOFL-XMMPIXPASA-N 536.076 4.561 10 10 KJCE CCc1sc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c(C(=O)OC)c1-c1ccc(Br)cc1 1865872845 BEZWUSFPIWYOON-UHFFFAOYSA-N 591.480 4.921 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867456455 FHLGSGSQDDMJES-OCZFFWILSA-N 639.797 4.799 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868640068 BYQVFGAMWASGMC-LJAQVGFWSA-N 574.628 4.556 10 10 KJCE CCCCOC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871202213 OACUMQNXCCIIJV-UHFFFAOYSA-N 515.614 4.892 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCCCCCC3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873169800 VYKSLZJGURRZGE-UHFFFAOYSA-N 518.702 4.599 10 10 KJCE O=C(Cn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O)NCc1cccc(C(F)(F)F)c1 1873969882 JZJIZXOIXVMUJJ-UHFFFAOYSA-N 502.496 4.910 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 2296545450 RPOACXUIYJQQRZ-IBGZPJMESA-N 560.122 4.980 10 10 KJCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2297508946 AIXBNGYVQADHJR-UHFFFAOYSA-N 605.717 4.531 10 10 KJCE COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2313548210 OUTXIQBOBUAFOM-UHFFFAOYSA-N 681.062 4.950 10 10 KJCE CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)cc1 2313561183 YILNMXRBQAWKCW-UHFFFAOYSA-N 508.372 4.922 10 10 KJCE Cc1c(N2C(=O)C(=Cc3c(N4CCCc5ccccc54)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314414041 OJJNHNQZEDSBBZ-UHFFFAOYSA-N 606.733 4.982 10 10 KJCE Cc1ccc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c(C)c1 2326945248 YLEBXHAFYQINBX-UHFFFAOYSA-N 507.637 4.963 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccccc1OC 35963234 LBUHJAQJERNMEO-DEOSSOPVSA-N 524.021 4.545 10 10 KJCE CCOC(=O)C1CCN(C(=O)c2ccc(CSc3nc(COC)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)cc2)CC1 98015255 FPBYBPBJQXWHIA-UHFFFAOYSA-N 619.788 4.666 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccc(OC)cc1 101472787 BJYLXSAMZZRSFW-KQWNVCNZSA-N 581.419 4.981 10 10 KJCE CCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110524417 POFUPVFIXCSFGF-UQQQWYQISA-N 602.786 4.878 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 150390291 HGKWBRCPSVBZIY-RISWYLRJSA-N 637.512 4.795 10 10 KJCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 150650923 SPLDLTVUPGXQDL-COEJQBHMSA-N 643.835 4.832 10 10 KJCE CC[C@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 164119427 RAGOYPUPXAKGKH-JOPGQCNASA-N 700.791 4.573 10 10 KJCE COc1ccc([C@H](CNC(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)N2CCCCC2)cc1 205608334 IKNTXGKZEVERKT-JECJHWOISA-N 509.697 4.548 10 10 KJCE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 207822479 HORDLHMXZOEFFJ-FYJGNVAPSA-N 566.705 4.931 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1F 1084359600 ASVCOJFVZVTBLC-ZDLGFXPLSA-N 590.320 4.823 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 1862283046 IWRYBEOZNFFVAL-NDEPHWFRSA-N 517.645 4.822 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013124 QMHZVEYRJWCKQN-RUZDIDTESA-N 546.574 4.584 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864017685 ROEMHPZOOLOEJT-XMMPIXPASA-N 531.012 4.819 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864017708 SGBLESZSGSAQSC-HSZRJFAPSA-N 516.985 4.510 10 10 KJCE CC[C@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867229756 BLRJDMLTEWTPDV-NRFANRHFSA-N 519.395 4.609 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccc4oc(O)nc4c3)CC2)n1 1868275579 UTUJMCTUBGQOJX-UHFFFAOYSA-N 546.587 4.731 10 10 KJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 2313565030 NLCIHAVJRGBJKQ-UHFFFAOYSA-N 514.390 4.930 10 10 KJCE Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)ccc1OC(C)C 33482901 YECDAYYNETZZEQ-PCLIKHOPSA-N 529.666 4.803 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(C)c1 47133178 WSBBJXZIMOSJPG-YVLHZVERSA-N 500.989 4.547 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100860358 NCWYDYORZCHLQZ-CVKSISIWSA-N 615.712 4.599 10 10 KJCE Oc1c(Br)cccc1CNc1cc(I)cc(I)c1 690392639 NUHFLEQDBFQNMP-UHFFFAOYSA-N 529.941 4.976 10 10 KJCE O=C(CCCOc1ccccc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860555643 PPUHQRBAZTXGCR-UHFFFAOYSA-N 505.530 4.907 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864014053 MGKXVNXIAJMXLW-GKVSMKOHSA-N 512.610 4.999 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015942 GUNFFQZQCQTSKU-AREMUKBSSA-N 548.599 4.922 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@H]2c1ccc(O)c(O)c1 1864017252 ITJZHAYLBULUGL-JKHABCDFSA-N 532.641 4.769 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031652 LLLKUOHHIOWQCN-PMAPCBKXSA-N 502.615 4.570 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865034524 YHQUZKUUZZNNJK-FQEVSTJZSA-N 548.537 4.844 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865035229 OQNAUEUAUQZCCI-IQMFZBJNSA-N 541.023 4.651 10 10 KJCE COC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)sc2c1CC[C@@H](C(C)(C)C)C2 1865928107 WBHDRCKANHKLGP-RBUKOAKNSA-N 542.698 4.733 10 10 KJCE CC(C)c1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866740290 JJVOEFLXOAHKRB-VPUSJEBWSA-N 526.633 4.831 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)cccc21 1866914510 UPXXIWLQLRATBL-IHLOFXLRSA-N 575.640 4.932 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867503090 NSSRVMGGVIUZCO-SZAHLOSFSA-N 653.824 4.842 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCc3cccs3)C2=O)cc1 1873167484 JLXAEELGPGHRDK-UHFFFAOYSA-N 516.711 4.944 10 10 KJCE CCCCN(C(=O)C=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1c(O)nc(=O)n(CCC)c1N 2042444415 OYJXSXBUNPRLNR-UHFFFAOYSA-N 530.604 4.779 10 10 KJCE CCc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 2297469986 LUSQKAALKDDJQY-UHFFFAOYSA-N 502.644 4.678 10 10 KJCE C[C@@H](Nc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O)c1ccccc1 102844741 LMXKMECRWGGCFR-DMGPTTAYSA-N 542.642 4.998 10 10 KJCE COC(=O)[C@H](C)N1C(=O)/C(=C\c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S 103756650 WJXCFRCHLNVYDA-FHXOWUIVSA-N 522.442 4.799 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150586737 AOKJNUNLVORWPY-ANYBSYGZSA-N 641.819 4.786 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3nc(C#N)c(N4CCN(Cc5ccccc5)CC4)o3)SC2=S)cc1 213216124 ZYAFTDCPGJXGQD-HAHDFKILSA-N 515.664 4.578 10 10 KJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526275527 CAPFIXGGIVXXHL-VWLOTQADSA-N 505.523 4.739 10 10 KJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526449028 RFDWPFOOIDGVOA-VWLOTQADSA-N 507.539 4.970 10 10 KJCE COc1ccc(O)c(CN2CCC3(CCCCCOC[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC3=O)CC2)c1 1615110824 WSKBHRUAPIUBOG-XNMGPUDCSA-N 545.765 4.635 10 10 KJCE CCc1sc(NC(=O)C(=O)NCc2ccccc2OC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763943 SRIMZBIWKGIUTO-UHFFFAOYSA-N 531.428 4.790 10 10 KJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865030741 PSHSAAVRDPGRER-XZNQMBMJSA-N 508.663 4.779 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865033521 BMYIKYICXOGZFN-RHGYRFJNSA-N 532.641 4.579 10 10 KJCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865034026 NKDWCVMVTNHYSV-WHSLLNHNSA-N 542.558 4.561 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N2CCCCC2)cc1 1865996640 TYOVAKKLLARQGS-IHLOFXLRSA-N 528.697 4.934 10 10 KJCE C[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867085493 MDWIGVNOAVVZCN-HXUWFJFHSA-N 569.617 4.993 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1867446708 HWWJOZTUYMLFOO-PXLJZGITSA-N 717.823 4.668 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1867452112 JFFXRZWJEYWZPT-OIDHKYIRSA-N 701.824 4.962 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867924523 DAFDIYQSLQFCOB-SZAHLOSFSA-N 647.776 4.826 10 10 KJCE Cc1cc(Br)ccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425609 HWSYEHCUEAQYDQ-UHFFFAOYSA-N 563.496 4.689 10 10 KJCE Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C 2294235480 WVQQOQWXDVGXPQ-UHFFFAOYSA-N 511.962 4.725 10 10 KJCE COCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296714169 BSEQECPBJPOYMO-UHFFFAOYSA-N 503.443 4.604 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2296754949 VUBYFKBTSGCYHA-GUDVDZBRSA-N 520.680 4.579 10 10 KJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCOc2ccccc2F)c2ccc(Br)cc12 2313624014 HZRDSDKXKVPSRY-UHFFFAOYSA-N 552.356 4.877 10 10 KJCE CCCOC(=O)CCCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OC)c2)SC1=S 2314761445 SVZQFGOUKNCZRV-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE COc1ccc([C@@H]2[C@H](C(C)=O)N3c4cccc(NC(C)=O)c4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 35780694 GXUAJUUEICEVSV-FCEKVYKBSA-N 506.558 4.676 10 10 KJCE biogenic COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 103594401 YRKFWDQMOWNBJL-INVDLJJISA-N 531.981 4.939 10 10 KJCE COc1cccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 103610517 WOQBTGNPGHFBFI-QHQJJPTGSA-N 517.954 4.630 10 10 KJCE Cc1cccc(C)c1OCC(=O)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860511037 DUEZQKUSAHEEGR-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(NC(C)=O)c2)sc(C)c1-c1ccc(OCC)cc1 1860748301 XPEXIRWCYOVOTH-UHFFFAOYSA-N 509.584 4.835 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029483 OGFDYBRHAXEZIR-HHJKRLRDSA-N 516.642 4.744 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865034678 BQZWMLJXKHBJQA-HJPURHCSSA-N 523.033 4.654 10 10 KJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679210 AYMPUVPADIRXIF-WOJGMQOQSA-N 523.904 4.997 10 10 KJCE CN(C)[C@@H](C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866703475 PGGFTFBVTVBBHU-LMSSTIIKSA-N 549.602 4.570 10 10 KJCE CSCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867175970 LJQXGXALTXEOQS-QHCPKHFHSA-N 579.682 4.750 10 10 KJCE CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867409252 ZUSPQZVPJJCBKM-DQEYMECFSA-N 517.139 4.601 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867474842 DTNXTLQDQPTVMF-SXLOSVNLSA-N 681.834 4.532 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(-c6ccc(Cl)cc6)o5)CC4)nc(C(C)C)n3)CC2)cc1 1869095568 UQOYSOACQXIYOU-UHFFFAOYSA-N 575.117 4.965 10 10 KJCE CCCOc1cn(CCc2c[nH]c3ccccc23)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870656380 ILSPQBIGVCLQQB-UHFFFAOYSA-N 500.643 4.692 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(Nc3ccccc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873416805 CMXRMYFPWYIFLD-UHFFFAOYSA-N 512.610 4.907 10 10 KJCE CCCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)c1 1873420505 NTYDTWKKLSANBD-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE Cc1cc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)ccc1Cl 2296659679 ITMQNAXFFARYPH-UHFFFAOYSA-N 503.942 4.937 10 10 KJCE N=C1C(=Cc2cn(Cc3ccccc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297468977 VHMXRTVIASBQHH-UHFFFAOYSA-N 510.623 4.711 10 10 KJCE O=C1C(=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1ccc(Br)cc1 2332141398 SUQJJSHNILMRTM-UHFFFAOYSA-N 506.312 4.963 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCc4ccco4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 100885024 LYFKKUHPJTZCIU-HZHRSRAPSA-N 562.673 4.669 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C\c3cc(Br)c(OC(=O)c4ccco4)c(OC)c3)C(=N)N12 101348325 PORBMXOIZQKGCA-STFAQDPBSA-N 535.401 4.600 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 101744706 OLZDUUZDSRZIFW-XDHOZWIPSA-N 612.955 4.905 10 10 KJCE N=C1/C(=C\c2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 103608540 FVDGJSZWFFPFAE-YFIZFCHVSA-N 508.003 4.551 10 10 KJCE CCOC(=O)CN(/N=N/c1ccc(I)cc1)c1ccc(I)cc1 103749945 ZJSNPUBDTRIEOL-FMQUCBEESA-N 535.123 4.964 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 109952909 NCWYDYORZCHLQZ-YSMPRRRNSA-N 615.712 4.599 10 10 KJCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 143245466 QCGJYZKNDUEVSC-MSXFZWOLSA-N 544.658 4.791 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526568436 SOXFBXKXFLMPSS-VWLOTQADSA-N 504.539 4.767 10 10 KJCE Cc1nn(Cc2ccccc2)c(C)c1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084084577 CSWOPIWVXMABLG-UDWIEESQSA-N 507.388 4.594 10 10 KJCE COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(C)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 1084232565 ZTNKAUAQIMBEQD-UCQKPKSFSA-N 511.603 4.847 10 10 KJCE C[C@@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864016675 VFGGQYDIQWNZBF-WXTAPIANSA-N 536.632 4.949 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019124 GRBMPJKTOOKPAA-OYYKMFQCSA-N 540.664 4.934 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864021321 AOEGMUJRJBPJEX-QHCPKHFHSA-N 544.995 4.586 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N(C)C2CCCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1865027361 HODCMFLONAMWAQ-SANMLTNESA-N 516.642 4.754 10 10 KJCE COC(=O)c1c(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)sc(C)c1-c1ccccc1 1865883679 GRTOCVLXZLPXPI-UHFFFAOYSA-N 511.559 4.954 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867334599 GRYOXSWXRLSFIX-WDYNHAJCSA-N 534.651 4.715 10 10 KJCE CCC[C@@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867412501 WWFZWESQCKHXHD-JWQCQUIFSA-N 529.523 4.757 10 10 KJCE COCCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)C[C@H]1C 1868564744 RKSWTGHSZQQFGR-SZPZYZBQSA-N 562.674 4.993 10 10 KJCE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCC3)C2=O)CC1 1873170795 QUVKKCZGLPMDRV-UHFFFAOYSA-N 503.643 4.686 10 10 KJCE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420865 XMEFPOGTONNCFI-UHFFFAOYSA-N 545.636 4.514 10 10 KJCE CC[C@@H](C)OC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421273 OWTFBJRWECTDAF-JOCHJYFZSA-N 528.653 4.803 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1 2313557788 MBUYLIQBBUMBBZ-UHFFFAOYSA-N 525.330 4.842 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C\c4ccccc4OCC(=O)O)SC3=S)cc2)cc1 59815333 XWKMVGUYABKCEE-OEAKJJBVSA-N 534.615 4.584 10 10 KJCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4Br)C(=O)[C@@H]32)cc1 253565733 IBVZHPBZDIQZLS-ZRBLBEILSA-N 530.374 4.761 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OC 254404262 PIZSNEAEBMHOOU-MUUNZHRXSA-N 541.673 4.523 10 10 KJCE O=C1/C(=C/c2ccc(Br)o2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 1081156819 IXINMEZOFWUUEY-LCYFTJDESA-N 528.456 4.705 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC)cc1 1084521221 AFBUQNJQOFEMAW-WJOKGBTCSA-N 597.737 4.799 10 10 KJCE O=C1c2cccc(Oc3ccc(S(=O)(=O)O)cc3)c2C(=O)c2cccc(Oc3ccc(S(=O)(=O)O)cc3)c21 1615947064 HWXCZSFJUZPEKU-UHFFFAOYSA-N 552.538 4.540 10 10 KJCE Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1 1860558610 OXCPYAPKDWBDEP-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013712 ZERGUYFDIBMRFR-AREMUKBSSA-N 524.621 4.615 10 10 KJCE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864015978 HAAHVWUPPKDZSA-DEOSSOPVSA-N 528.584 4.616 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864016270 LAAIOGDDQAJRDK-BXKMTCNYSA-N 528.584 4.758 10 10 KJCE CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)sc(C)c1-c1ccc(Br)cc1 1865943251 JWFATTNJHCUXKZ-UHFFFAOYSA-N 577.478 4.982 10 10 KJCE COC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 1866116005 APIDZDSHQDIXLG-NRFANRHFSA-N 537.638 4.626 10 10 KJCE 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SBFAEPOIFROAGT-UHFFFAOYSA-N 517.379 4.715 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015621 SYLQHOZNIRMWEA-SFHVURJKSA-N 536.938 4.957 10 10 KJCE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccc(Br)cc1 1866848726 MGJWKJUAKLRZHZ-UHFFFAOYSA-N 571.431 4.866 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867524934 SBVVJGGMQUKFDZ-JSOSNVBQSA-N 601.792 4.923 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](C)CC)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867574322 ADGDTTCCSZHZEX-STQWGSIPSA-N 589.781 4.779 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868751792 WMCAWZFWRLYGKG-KGLAKQQASA-N 518.057 4.828 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(-c4ccccc4C)n3)CC2)cc1 1869151281 BDXKGRYWLSJPPM-NDEPHWFRSA-N 522.653 4.760 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@H]4c4ccc(OC)c(OC)c4)nc(-c4cccnc4)n3)CC2)cc1 1869376088 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O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cccc21 1860601917 FXSRBFHFEUQOEB-UHFFFAOYSA-N 506.480 4.972 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864010917 QLHCGUVCOBFTPJ-VWLOTQADSA-N 510.594 4.555 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864013763 FQLKDUDSNCLVPB-SANMLTNESA-N 545.599 4.665 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864017104 FPFRHHAEFMDEJY-DEOSSOPVSA-N 544.583 4.530 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032664 HXCDHYUNSBJXCJ-ANSQWYIGSA-N 530.669 4.721 10 10 KJCE CC[C@@](C)(NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867936095 LLNXTPWCNJKIGH-WNCULLNHSA-N 503.062 4.787 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873162386 SMSOLSFUZAMTMP-UHFFFAOYSA-N 521.665 4.582 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3cccs3)C2=O)cc1 1873168265 OWFZFWXWYWALEV-UHFFFAOYSA-N 511.603 4.954 10 10 KJCE CC(C)OC(=O)c1cccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)c1 1873980652 XYXOBKGXLZWQOL-UHFFFAOYSA-N 506.562 4.778 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)c2)C1 101013901 RKJSIVNTMOMNLK-OWLAEVIISA-N 538.720 4.695 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 103784022 AOVKTGHTLSKGTA-ZMVORIFESA-N 555.675 4.921 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3c(C)ccc4ccccc34)CC2)cc1 1861903020 TVTWLYLSEDNRHD-LJAQVGFWSA-N 507.634 4.847 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864007626 QRUQRKJEWFZUFM-HSZRJFAPSA-N 536.510 4.622 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864010545 NHKSPNGHPGGOPJ-VWLOTQADSA-N 545.039 4.943 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864011169 QZFCVQIZVXOQHO-SANMLTNESA-N 540.620 4.564 10 10 KJCE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013490 XJNHLZYZPLXVEA-QHCPKHFHSA-N 543.039 4.945 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865025754 CZZVMXASVGOTMD-HSZRJFAPSA-N 511.022 4.648 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CSCc3ccccc3)NC(=O)c3n[nH]c4c3CCCC4)cccc21 1866852579 AXALBNVCERHXAE-AREMUKBSSA-N 564.667 4.734 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867428062 BHTGOVYLHWAQEL-CZNDPXEESA-N 655.865 4.786 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609416 GRUKOWRVCVUXSZ-UFHPHHKVSA-N 515.098 4.657 10 10 KJCE CCC[C@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762528 MFCFLGYWCZSXRN-URLMMPGGSA-N 515.702 4.785 10 10 KJCE CN(C)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867882546 ZMYVQZWOERPPAT-JSOSNVBQSA-N 559.730 4.642 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H]3C[C@H]3c3ccccc3)CC2)cc1 1868902059 GCEVARDGRWLTBM-AWCRTANDSA-N 529.706 4.566 10 10 KJCE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873418966 JKJWIYFGBLJMJT-UHFFFAOYSA-N 550.615 4.685 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccccc4Cl)c(OC)c3)C(=O)NC2=S)cc1 2294259166 NYVGIMJMFLUQOJ-UHFFFAOYSA-N 508.983 4.768 10 10 KJCE O=C(COc1ccc([N+](=O)[O-])cc1C=C1SC(=S)N(Nc2nc3ccccc3s2)C1=O)Nc1nccs1 2314487202 FLDDBIQICLQCAS-UHFFFAOYSA-N 570.659 4.907 10 10 KJCE Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O 34164768 AZPSSDWPMSICSH-UODIDJSMSA-N 509.566 4.820 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1OC 101737445 YLSZJPFTQPAHSC-FSEPTYSPSA-N 522.442 4.972 10 10 KJCE CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143238645 DSYZHOUVYBQYDD-JLPGSUDCSA-N 598.747 4.566 10 10 KJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 1084641348 GPIRRNNZJNDEEB-YBEGLDIGSA-N 531.771 4.892 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@H]2c1ccc(O)c(O)c1 1864016573 SOOLHGFRLUKTJZ-VWLOTQADSA-N 524.621 4.999 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864017299 JIHFQWTVHRQPGB-XMMPIXPASA-N 547.011 4.519 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030413 JIELYTLKFOSFEP-SANMLTNESA-N 542.611 4.787 10 10 KJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)c(OC)c(OC)c3c2=O)sc(C)c1-c1ccc(C)cc1 1866459061 PQOLWYKSFGMPBR-UHFFFAOYSA-N 522.579 4.938 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772913 IQBGNKHFPRBHAN-URLMMPGGSA-N 516.661 4.576 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2I)N2CCCCC2)cc1 1867860439 QORJJDGJPDTWFQ-VMPREFPWSA-N 640.566 4.747 10 10 KJCE CCC[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868916602 NTXKTFQCJGKQSR-DEOSSOPVSA-N 524.662 4.524 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3Cc3ccccc3F)CC2)cc1 1870469729 RXOQCWANQDFUOO-UHFFFAOYSA-N 513.613 4.946 10 10 KJCE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871490443 BNXCBYJONKUJLQ-UHFFFAOYSA-N 510.086 4.748 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccc(F)cc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871524949 DLCXKIWUFCFQSY-UHFFFAOYSA-N 513.621 4.740 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313558557 DPPYLVQKVWAIRN-UHFFFAOYSA-N 583.366 4.931 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314399420 ZYFNLQPLHHUYEK-UHFFFAOYSA-N 629.739 4.594 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)SC2=S)cc1OC 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506.942 4.870 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCCCC4)=NC3=O)c2)C[C@@H](C)O1 2314475886 FBQSOFZRIPFBJZ-SZPZYZBQSA-N 591.759 4.793 10 10 KJCE COc1cc(C=C2C(=O)N(Cc3ccc(Cl)c(Cl)c3)N=C2C)ccc1OCCN1CCOCC1 2332105339 YGJZKDVRZQJADK-UHFFFAOYSA-N 504.414 4.515 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cccc(Br)c4)n(-c4ccccn4)n3)CC2)cc1 1862353712 JKSROJHUVWEIIP-UHFFFAOYSA-N 518.415 4.668 10 10 KJCE NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1 1864014953 GVHMXFVMNPQXRS-SFHVURJKSA-N 546.889 4.560 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015266 NRGRJCKCDPUTPC-IBGZPJMESA-N 542.539 4.683 10 10 KJCE NC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1864022094 KTKSVCOEMYJMCK-FQEVSTJZSA-N 546.521 4.644 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@@](C)(CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867302172 GHVYBXXFIYESCT-YZNIXAGQSA-N 538.689 4.530 10 10 KJCE 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KJCE CCn1c(C(=O)NCCCCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873570024 IFCVLNJTRHIFBC-UHFFFAOYSA-N 512.658 4.539 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1C 2297333276 UYXNDUFEVZMNQF-UHFFFAOYSA-N 509.312 4.691 10 10 KJCE Cc1ccc2nc(N3CCCC[C@@H]3C)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414289 VHUKYIOFZWHGDA-KRWDZBQOSA-N 534.663 4.512 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(C)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 2331394064 YPXHRVPPJLZQQT-UHFFFAOYSA-N 524.625 4.571 10 10 KJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(OC)c(Cl)c3)ccc21 15953238 HMGQPWXMKKUEFQ-UHFFFAOYSA-N 503.112 4.652 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)/C(=C/c3cc(Br)cc(Br)c3O)SC2=S)cc1 101965656 HRGWTHIIHDUXSI-CHHVJCJISA-N 558.273 4.766 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 101967478 KPFHSNDNMWHUJE-UYRXBGFRSA-N 549.468 4.952 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)c(Cl)c4)c3C)C2=O)c1 1083889020 NLCNNABMTZEANJ-XKZIYDEJSA-N 566.010 4.998 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(SC)cc1 1083998087 ACGHGVQZYOQAGF-MUUNZHRXSA-N 555.725 4.724 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864010862 PSXWBMOAHSPCMY-RUZDIDTESA-N 545.039 4.943 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035340 QZPVAIMAWNXNDF-RUZDIDTESA-N 545.039 4.912 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3C[C@@H]3c3ccccc3)cccc21 1867051368 ZUQUNSKBAKQLTG-PBWSGDRGSA-N 530.580 4.637 10 10 KJCE CC[C@](C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867178724 WBQJBSQKCUJPBR-YTTGMZPUSA-N 547.615 4.797 10 10 KJCE CC[C@@H](NC(=O)CCc1ccc2nc(O)c(-c3ccccc3)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868827546 ZQIRBLZTVWDPGR-GDLZYMKVSA-N 552.675 4.792 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(Cl)c(C)c4)[nH]3)CC2)cc1 1871664480 AKDHRJYWTFAYFY-UHFFFAOYSA-N 506.010 4.539 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc5nc(C)c(C)nc5c4)c3)CC2)cc1 1874722926 UUWGPLDLFAQJRG-UHFFFAOYSA-N 523.637 4.903 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935056 MVXVDPSXDLWNMK-MRXNPFEDSA-N 521.016 4.527 10 10 KJCE O=C(O)CCCN1C(=O)C(=Cc2cn([C@@H](CCc3ccccc3)C(=O)O)c3ccccc23)SC1=S 2326954784 YIIQCULQYURYOA-NRFANRHFSA-N 508.621 4.966 10 10 KJCE COc1ccc(N2CCN(c3oc(-c4ccc(F)cc4)nc3S(=O)(=O)c3ccc(C)cc3)CC2)cc1 39844638 BXOCPUURSMURHX-UHFFFAOYSA-N 507.587 4.957 10 10 KJCE O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283148 LKWPNBOPJHZVMT-WCEBZYJUSA-N 587.547 4.940 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CCOc3ccc(C)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377712 OJPAPWDVZVMYEV-ZTKZIYFRSA-N 571.699 4.957 10 10 KJCE Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1C 101378737 FWLBMIAMVLQOAZ-VUTHCHCSSA-N 571.699 4.875 10 10 KJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)O)c2ccccc12 105571006 DFYGTEYIWRLCOY-WHEOYJBGSA-N 536.551 4.993 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 205611212 NKNOABSLONHGMM-MQHZAWOVSA-N 523.724 4.860 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526516978 RMYCWQNYWOJUMG-RUZDIDTESA-N 519.550 4.985 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c3ccccc3)CC2)cc1 1862216853 QMAGUSBTWNKTMT-MUAVYFROSA-N 515.654 4.792 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2ccccn2)[C@H]3c2ccc(O)c(O)c2)cc1 1864013551 CEFVGWCGIOYANR-SANMLTNESA-N 545.599 4.665 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018889 TVBIIMSVBHJNJT-VWLOTQADSA-N 545.039 4.878 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029022 DFEIBIQLDPTHDE-HJPURHCSSA-N 523.033 4.843 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)N2CCCCC2)cc1 1865890454 GEIQLJDJOWRKKV-MHZLTWQESA-N 502.659 4.638 10 10 KJCE C[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866796955 QZNBZKGUSPHVSP-INIZCTEOSA-N 547.405 4.721 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867473465 QRKUCPLETPQRMY-PXLJZGITSA-N 658.803 4.628 10 10 KJCE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868726131 RPIXWPJUUDQOGQ-IZLXSDGUSA-N 521.608 4.739 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868850833 DUSSWMJOTCPMFL-VMPREFPWSA-N 517.645 4.650 10 10 KJCE CCCN(CCCN(C)C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C)cc2)n1 1869169802 AUMJPNJZXNJRBI-UHFFFAOYSA-N 502.707 4.955 10 10 KJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC(C)C)cc2)C1=O 1873169437 APPXGUSSKLCQER-UHFFFAOYSA-N 543.664 4.956 10 10 KJCE 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QVJILOKOYYHQNL-UHFFFAOYSA-N 557.713 4.925 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011305 GHGPUSUNMGLMAK-SANMLTNESA-N 545.039 4.666 10 10 KJCE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864014441 VFBKBQZZKXKVIJ-VWLOTQADSA-N 540.620 4.816 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014828 DGBNJOAPTHBMIS-FQEVSTJZSA-N 546.546 4.702 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865027993 SICZOXPNQPPKKO-NDEPHWFRSA-N 536.632 4.768 10 10 KJCE CC[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868837551 PXNZDAAWTSAKDT-VSGBNLITSA-N 520.073 4.919 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873168102 JCSASRZYOFDPNG-UHFFFAOYSA-N 546.675 4.785 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(I)c1OCc1cccc(C)c1 2297310688 XDEXPSPYRPQYTM-UHFFFAOYSA-N 546.390 4.826 10 10 KJCE COc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2297458159 BXOLFQBURCNGAY-UHFFFAOYSA-N 548.440 4.701 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)CC1 2314476415 ODHUZXJVCUOTCV-DHIUTWEWSA-N 663.822 4.583 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314627515 GEETZZFDRHBKEB-HSZRJFAPSA-N 527.687 4.691 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)C2CCC2)C2CC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 37423726 DNOCOTGFYQTTIB-UHFFFAOYSA-N 513.660 4.550 10 10 KJCE O=C(O)CCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S 101013273 VGTQQEWQUYLLQX-MOHJPFBDSA-N 596.756 4.780 10 10 KJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3F)CC2)SC1=S 110523034 YKRMXUQEMHNGAR-KQWNVCNZSA-N 539.702 4.515 10 10 KJCE CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 110556474 XFWZNQKASAHMDQ-HKOYGPOVSA-N 568.746 4.562 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526388843 WIXAYXROMFVDJG-LJAQVGFWSA-N 512.654 4.960 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 1772719140 NLQAXLULZZDODS-WLPOIXRISA-N 541.098 4.671 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(OCC)cc1 1860747916 BHCDXAPOPKCVDJ-UHFFFAOYSA-N 512.584 4.893 10 10 KJCE CCSc1ccc(Cl)cc1CC(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861908809 ROGRXFPKYBWPQN-SANMLTNESA-N 504.096 4.637 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864016327 MLASEMQMMBVJHO-XMMPIXPASA-N 510.594 4.537 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)c3ccccc3)CC2)cc1 1868663981 MHCQZZMPMIVHOB-IOWSJCHKSA-N 534.660 4.623 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCOc4cccc(C)c4)cn3CC(C)C)CC2)cc1 1870781339 SXWXYVFESKLAMR-UHFFFAOYSA-N 519.686 4.991 10 10 KJCE COC(=O)c1ccc(COc2cn(C[C@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)o1 1871002932 GOTHQQDZVZDDFD-IBGZPJMESA-N 503.555 4.543 10 10 KJCE CSC1=NSC2=NC(=O)C(=Cc3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N12 2297333697 CYIQEMNWFNGYCX-UHFFFAOYSA-N 517.430 4.847 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314408547 BYXJURXBGSCYPP-UHFFFAOYSA-N 615.712 4.599 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@@H](C)C[C@@H](C)C3)nc12 2314413877 JZVAEUCIFJAXMR-KDURUIRLSA-N 600.770 4.689 10 10 KJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOCCOc4ccc(C)cc4)c(OC)c3)C(=O)N=C2S1 34882156 NZUVEOGRTRNYQX-UKHUTJJTSA-N 522.627 4.897 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1OC)C(=O)Nc1ccc(C(F)(F)F)cc1 103078429 INFPPLPNARITHE-XMMPIXPASA-N 557.573 4.911 10 10 KJCE COc1cc(/C=C2/C(=N)N3N=C(C4CCCCC4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 105919592 SASXLOYNRRYXFM-OQZKWKKUSA-N 524.624 4.662 10 10 KJCE C/C(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 205957913 JDVJDYQNAJAXLO-NCELDCMTSA-N 542.596 4.862 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864009768 DGKOFEXXWJANNF-HCYUJWNOSA-N 516.642 4.934 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3Cl)c2O1 1865031849 PJRMENDAIPOWGO-XMMPIXPASA-N 543.023 4.980 10 10 KJCE CC[C@@H](C(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868836677 JJLDIWYGLAQJEX-IHLOFXLRSA-N 578.109 4.844 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1OC 1873423434 LGGOYQRIERKGLJ-UHFFFAOYSA-N 525.609 4.590 10 10 KJCE Oc1c(I)cc(I)cc1CNC[C@@H]1CCCN(Cc2ccccc2)C1 2059840851 RBCWNPQCWYMWQL-INIZCTEOSA-N 562.233 4.603 10 10 KJCE Cc1ccc2nc(NC[C@@H](O)c3ccccc3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314476167 JVBQVOHWRSZIBH-JOCHJYFZSA-N 546.649 4.689 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 33781280 NNOUJWOSNJSDFU-SOFYXZRVSA-N 503.816 4.967 10 10 KJCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990141 AFMCDOVCMILZCG-WIZLDEDZSA-N 510.685 4.915 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccccc3)SC2=S)cc1 40066606 SNOQLCAQAXPBSY-QRVIBDJDSA-N 516.648 4.588 10 10 KJCE CCOC(=O)c1c(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(C)C2=O)sc2c1CC[C@H](C)C2 211911915 JFTRIAPPBUQATJ-UXPDKRSESA-N 514.694 4.975 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@H](C)CC)N[C@H]2c1cc(Br)ccc1O 248205088 ZOVPORZIEQIYER-ZQRRWPJLSA-N 543.458 4.599 10 10 KJCE Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1C 1860827072 QPBWWECJQOVHIU-LPYMAVHISA-N 507.637 4.963 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(CC)cc1)=C(N)O2 1864013926 JDZRNVNCOKWSLF-DWXRJYCRSA-N 539.636 4.765 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032632 HLPZACOVCRNYHN-DEOSSOPVSA-N 504.631 4.557 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869318768 DHXZNPWEWILQOS-UHFFFAOYSA-N 593.732 4.772 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873167563 MLBYRLMKYNZEQQ-UHFFFAOYSA-N 505.062 4.959 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)CC2)cc1 1874750673 HXBSFDDUJBKPST-UHFFFAOYSA-N 501.627 4.725 10 10 KJCE COc1cccc(OCCOc2c(Cl)cc(C=C3C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 2297341056 LOWRJOTVMYXDPR-UHFFFAOYSA-N 533.031 4.755 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 2313559245 UTUDXOKPBLXSSC-UHFFFAOYSA-N 632.407 4.578 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cccc(Cl)c4C)c3)CC2)cc1 3022757 COQZVBNZMCIMON-UHFFFAOYSA-N 518.010 4.559 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1ccccc1OC 34839378 SWYZIHREWCNRCS-MXRNNIMDSA-N 508.600 4.827 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100851278 GLKFVKFUNJGAOT-XQNSMLJCSA-N 534.707 4.692 10 10 KJCE N=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 103612134 DHHGSNZFLCVYBP-HGEMSSTASA-N 508.003 4.551 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864012723 HVVPFLCJAXJFOA-XMMPIXPASA-N 548.640 4.549 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864013094 QAEKOQXIICMVQF-JOCHJYFZSA-N 529.012 4.699 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864013342 WIIQKUYYVDJFPU-DEOSSOPVSA-N 520.605 4.578 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864019785 QWCXJAUJIUGETQ-SANMLTNESA-N 528.653 4.915 10 10 KJCE CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867436278 PUSJUEZFKTWDLB-FIRIVFDPSA-N 595.744 4.572 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851597 WJKXGXWYSRVJMF-WDYNHAJCSA-N 534.651 4.715 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867928045 VPLKXNKDZDRNBP-NSOVKSMOSA-N 567.105 4.935 10 10 KJCE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)C[C@@H]1C 1869148913 KFOBCIYOAJLRSI-UIOOFZCWSA-N 544.744 4.723 10 10 KJCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3cccc(Cl)c3)c3ccccc23)SC1=S 2326945203 MAFHUTULQIUCCN-UHFFFAOYSA-N 514.028 4.999 10 10 KJCE COc1ccc(C2=NN(Cc3ccc(C)cc3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105320 VORKGVNCGHECDY-UHFFFAOYSA-N 541.648 4.553 10 10 KJCE O=C(O)/C=C\c1ccc(S(=O)(=O)Nc2cc(Cl)c(NS(=O)(=O)c3ccc(/C=C\C(=O)O)cc3)c(Cl)c2)cc1 101630377 QWXZBKMDMAXQRY-CBIKUMSCSA-N 597.454 4.791 10 10 KJCE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)C1 102849765 YAIYLBOTYOFLTK-GXDFBKAQSA-N 596.756 4.636 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 254873005 GRPZVFHUOKACQP-AREMUKBSSA-N 576.516 4.968 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526605124 ZKEAJMQILAGCIR-GDLZYMKVSA-N 512.654 4.566 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015583 SAIZBDSUFHRJLW-OAQYLSRUSA-N 536.510 4.622 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016341 MVGLGDKAOJEXGT-QHCPKHFHSA-N 531.012 4.882 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018888 TVBIIMSVBHJNJT-RUZDIDTESA-N 545.039 4.878 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1865030789 RBHIYIUGQKQHLT-XMMPIXPASA-N 508.578 4.658 10 10 KJCE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccccc2)on1 1866822831 HXGGOYPUXRIEBS-SANMLTNESA-N 557.562 4.802 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867505508 FYFJSEZWACDMPS-VRLMBGIESA-N 653.824 4.842 10 10 KJCE CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867540219 MJXQYKYCZMBNOF-FIRIVFDPSA-N 542.724 4.836 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC[C@@H](c3ccc4c(c3)OCO4)C2)n1 1868254105 DOKMKVNRYKBSDV-HXUWFJFHSA-N 548.599 4.907 10 10 KJCE CC[C@@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868861547 IDIMLJLIOKLPQE-RPWUZVMVSA-N 506.474 4.985 10 10 KJCE CC[C@H](NC(=O)[C@@H](CC(C)C)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869012660 CDNLTNSCFFAAII-DQEYMECFSA-N 530.507 4.831 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1C 2293250213 PSGFUGXYVVVZNC-UHFFFAOYSA-N 508.600 4.745 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCC(=O)O)C3=O)c(Oc3ccc(Cl)cc3Cl)nc12 2314506872 GLPJEBDFDOYLHN-UHFFFAOYSA-N 536.418 4.778 10 10 KJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105349 ZKAPAIYIADYYDV-UHFFFAOYSA-N 548.039 4.903 10 10 KJCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 100886524 BCFRXKDBMPXBOR-DEDYPNTBSA-N 529.087 4.896 10 10 KJCE C[C@H](Oc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1)c1ccccc1 102739064 VBMHWEBPFUSFFS-IEVOSMDYSA-N 501.612 4.848 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 254441038 WISRQIKCUOEEGN-SANMLTNESA-N 548.064 4.778 10 10 KJCE COC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)Cc3ccncc3)C2)sc(C)c1-c1ccc(C)c(C)c1 1860665044 HHWDAUWBRASVGL-QFIPXVFZSA-N 505.640 4.942 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864012855 KUDOZNKDMATXRI-YADARESESA-N 519.646 4.801 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2cccc(I)c2n1 1866528087 TVTOMTAMDOWUNY-UHFFFAOYSA-N 520.282 4.573 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866605089 NOPRCMQDLQSXFJ-HHHXNRCGSA-N 589.604 4.779 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCc4nc[nH]c4[C@H]3C)n2)cc1 1869340834 QLXQXZZSCCQJCX-OAQYLSRUSA-N 525.657 4.724 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NC3CCCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165305 HARIMBKUEAQDOD-UHFFFAOYSA-N 518.658 4.717 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873169307 JNAVYGZEURHSFM-UHFFFAOYSA-N 555.642 4.959 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1 1874759059 SMRIJVLQVAXDBF-UHFFFAOYSA-N 522.989 4.904 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 2293668672 ZSGGWSXFCMSIET-UHFFFAOYSA-N 518.517 4.951 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313510524 NUGXKMILCFQACV-UHFFFAOYSA-N 532.465 4.587 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 39991369 DRYTVYIYXRYDRY-DJQLGGTQSA-N 514.717 4.586 10 10 KJCE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S)c1ccccc1 40939818 BDJMCOACKJZVJF-MRCUWXFGSA-N 506.008 4.803 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 100880673 MNANHCXGYXVVLQ-HAVVHWLPSA-N 549.697 4.612 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 103794862 YBDBHZOVAZSENC-NVMNQCDNSA-N 558.399 4.629 10 10 KJCE O=C1/C(=C\c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 207307772 VTTJVIZDGBYXME-NDWLXSOOSA-N 593.818 4.529 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256039825 BDTAFDWFZYBCFP-UWQSTPFSSA-N 564.776 4.662 10 10 KJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)c1OC 526161113 YAULPVZRPFELER-HSZRJFAPSA-N 511.914 4.597 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007958 YCPMWJMLCHPNKI-CBZJRKILSA-N 540.620 4.735 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864017709 SGBLESZSGSAQSC-QHCPKHFHSA-N 516.985 4.510 10 10 KJCE CCCc1nn(C)c2c1[C@@H](c1cccc3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865132706 ZKNDGIOSSDUMEJ-HHHXNRCGSA-N 537.664 4.578 10 10 KJCE O=C(N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cccc(N2CCCC2=O)c1 1866611628 BDHMZQBRLXDJIX-LJAQVGFWSA-N 543.579 4.699 10 10 KJCE C[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866841013 RPJJKXAUFCEBBC-VKGTZQKMSA-N 550.586 4.852 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867534896 JNXUSWFTCPBFTP-IOWSJCHKSA-N 627.811 4.748 10 10 KJCE CC(=O)Nc1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867636767 QLYKGXSELJTJGH-FIRIVFDPSA-N 573.713 4.535 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(F)cc5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867991447 YTCQDEXBNSPUJD-UHFFFAOYSA-N 554.670 4.953 10 10 KJCE CC[C@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868960457 CJEUWBJCFQXVLR-CYFREDJKSA-N 546.506 4.594 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCCc5cccc(Cl)c5)CC4)nc(C)n3)CC2)cc1 1869292951 LIVMKAGFNJORBQ-UHFFFAOYSA-N 521.109 4.528 10 10 KJCE CCCN(CCC)C(=O)COc1cn(C[C@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870888323 LYLLPJDITJNHCD-QFIPXVFZSA-N 506.647 4.612 10 10 KJCE COc1ccc(CN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873164099 LXIVFBDOFFQHQX-UHFFFAOYSA-N 522.605 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](O)c5ccc(Cl)cc5)ncnc4n3Cc3ccco3)CC2)cc1 1875237253 REYZOJPNWHZGLZ-MUUNZHRXSA-N 587.080 4.843 10 10 KJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=CNCC1CCN(C(=S)Nc2ccccc2)CC1 2293415044 KRGKHTULBUBTQY-UHFFFAOYSA-N 506.632 4.680 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)c1 2314476000 HEEFBRIZEZWWHE-UHFFFAOYSA-N 526.709 4.839 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314768223 JYBRJIIOSANHFQ-XMMPIXPASA-N 540.663 4.504 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 1276357 RPOACXUIYJQQRZ-PPRFWAEMSA-N 560.122 4.980 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)/C(=C\c3ccccc3OC)S4)CC2)cc1 96457247 JBLLYEVAUWSHSL-ZXVVBBHZSA-N 515.635 4.776 10 10 KJCE O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 101066055 QVBJYWJLJKQECP-JWGURIENSA-N 524.693 4.593 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCCOc1ccccc1 101484773 PYYDDQVUXQBNKS-KGENOOAVSA-N 551.393 4.890 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(NCc4ccco4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 105757443 LYFKKUHPJTZCIU-HAHDFKILSA-N 562.673 4.669 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccs1 252666011 AEEUZKOFSSOWGE-RUZDIDTESA-N 594.556 4.826 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Br)c3OCC)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083891069 GFLGQYNIWNMBJL-QHCPKHFHSA-N 649.405 4.788 10 10 KJCE CCc1sc(NC(=O)C(=O)NCc2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763507 JPWYAUQSNHJMIT-UHFFFAOYSA-N 501.402 4.782 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864017298 JIHFQWTVHRQPGB-DEOSSOPVSA-N 547.011 4.519 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019290 XVSZQRFYGVIEGC-JOCHJYFZSA-N 511.022 4.559 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026457 NZJJNMJBEMMSJC-HSZRJFAPSA-N 526.996 4.541 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029840 WJZSCOJVGMLZEQ-QMHKHESXSA-N 523.033 4.843 10 10 KJCE COc1ccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1866677400 CLBPZIWGFOUPQM-RUZDIDTESA-N 583.666 4.853 10 10 KJCE CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867522328 DVNQUDVNQVVBQE-XZWHSSHBSA-N 587.765 4.533 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867590675 OFECFEBDXIJISJ-RFQWPUQQSA-N 623.798 4.832 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867766010 IHBHAOMKFOJRSF-BVRKHOPBSA-N 636.149 4.924 10 10 KJCE COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867914907 OXWNQCATWRZXCB-LMSSTIIKSA-N 514.670 4.576 10 10 KJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCCO)cc1OCc1nc(O)c2ccccc2n1 1870796732 ZAXDFMMTMARJBW-UHFFFAOYSA-N 523.593 4.814 10 10 KJCE O=S(=O)(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(Br)cc1Br 1891724739 HCRZCLSWQSAOTG-YOEHRIQHSA-N 500.256 4.679 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2297302253 WANDIGSXSAGRBJ-UHFFFAOYSA-N 567.417 4.566 10 10 KJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 2313556901 OEYXRSNYUYKAIB-UHFFFAOYSA-N 555.326 4.666 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314603386 XSDVXVDDVBIXMH-IBGZPJMESA-N 581.156 4.985 10 10 KJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S 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COC(=O)c1ccc(Cl)c(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)cc3)c2C(=O)OC)c1 1860748526 DXEAOIFZVQBLCV-UHFFFAOYSA-N 500.960 4.836 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865031602 KMSHWOMAWVJZHJ-FQEVSTJZSA-N 546.546 4.654 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865032928 OCCLVLKJHQXLLY-DEOSSOPVSA-N 531.012 4.853 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@@H]1c1ccc(O)c(O)c1 1865034063 OEALCOQZQVGVTF-SFHVURJKSA-N 510.557 4.847 10 10 KJCE CC[C@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866645986 LYGPASZYSJMJJP-QHCPKHFHSA-N 521.573 4.810 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCCOC(C)C)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871504590 IFYBDBYLKUQCQB-UHFFFAOYSA-N 519.694 4.723 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1O[C@H](CC)C(=O)O 2314935670 QJEGBLLEHGRHRX-MRXNPFEDSA-N 521.016 4.527 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 103870606 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O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccccc1 2296947643 ONRPSIUCTULHFB-UHFFFAOYSA-N 514.994 4.765 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCC(C)CC3)nc12 2314401283 WMEYOUWMUXEGJH-UHFFFAOYSA-N 508.644 4.780 10 10 KJCE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 34798787 KQROYQIEVWXDEZ-KGENOOAVSA-N 508.669 4.631 10 10 KJCE CCCOC(=O)CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OCCC)C2=O)SC1=S 103036455 RJYJIZCGJRHTRN-VXPUYCOJSA-N 574.812 4.946 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084532339 AUXYLHKAYKTVNB-OCKHKDLRSA-N 610.373 4.730 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864010943 CHQDWZSTJWYCKC-JOCHJYFZSA-N 531.440 4.959 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1864012274 WMXNBLPBJWGHBJ-AREMUKBSSA-N 545.039 4.932 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016439 PEVCYNXDUMBKJU-UUOWRZLLSA-N 510.594 4.619 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864017483 NFWPKQCGHFCNAY-XMMPIXPASA-N 531.012 4.819 10 10 KJCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865034027 NKDWCVMVTNHYSV-ZOCZFRKYSA-N 542.558 4.561 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3cccc(Cl)c3)CC2)cc1 1865092228 PEXWZRSRLZWMGL-RUZDIDTESA-N 536.076 4.553 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4c(C)cccc4C)n(C(C)(C)C)n3)CC2)cc1 1869969978 BVQYRZCISUFFIJ-UHFFFAOYSA-N 520.678 4.783 10 10 KJCE CCCCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425566 GCFVTIBEFWKGBH-UHFFFAOYSA-N 526.681 4.961 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(OC(F)(F)F)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425827 NGVHWHSHHYUBIO-UHFFFAOYSA-N 554.569 4.517 10 10 KJCE COCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C12CCCC2 1874017779 WFCDKBBAIKGCRZ-AREMUKBSSA-N 508.574 4.599 10 10 KJCE CC=CC(=O)N1c2ccc(OCC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 2293308570 SZXFEWKNMKBBQN-UHFFFAOYSA-N 519.666 4.863 10 10 KJCE COc1cccc(C(=O)Oc2ccc(C=C3SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)c1 2296700204 KBXVWKBMGHNMEK-UHFFFAOYSA-N 504.589 4.769 10 10 KJCE COc1cc(C=C2SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 2314833560 TXLITSHGQKHRMG-IBGZPJMESA-N 589.091 4.511 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 100229348 JGZLKACJDKQVEL-LGUFXXKBSA-N 544.604 4.843 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 100851196 DOPIWLIWSZOKKD-UWPUCLODSA-N 541.098 4.671 10 10 KJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(\C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 205969095 OFYKGFNTJARDKF-NHFJDJAPSA-N 584.658 4.740 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864011983 OJDWOFULNSVVRQ-VEQVNTQVSA-N 523.033 4.694 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015586 SFEDLUXTQKRUQL-KRWDZBQOSA-N 522.911 4.567 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865034369 VAPKMWMWKFOJBO-HXUWFJFHSA-N 548.537 4.844 10 10 KJCE CCc1ccc([C@@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1 1865502541 HPGQQSLURARJLJ-MHZLTWQESA-N 543.712 4.716 10 10 KJCE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867815560 DXFMKWLPYXQQFV-VPUSJEBWSA-N 568.675 4.509 10 10 KJCE CSCC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867933470 OFGPECWPWNJBBS-ZEQRLZLVSA-N 535.129 4.740 10 10 KJCE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868959516 WLEKOJKUFYGADH-LEAFIULHSA-N 521.608 4.739 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc5ccccc5n4C)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970609 UNINSRSKDKTWCO-UHFFFAOYSA-N 521.625 4.655 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3Cc3cccnc3)CC2)cc1 1870489970 SHNDINKDXOELMD-UHFFFAOYSA-N 524.665 4.818 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(OC)c(Br)c5)[nH]c4c3)CC2)cc1 1873506635 NANIWQBRYTXDJN-UHFFFAOYSA-N 521.415 4.972 10 10 KJCE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(N4CCOCC4)c(Br)c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509088 UZECKIZGOHDPNW-UHFFFAOYSA-N 655.615 4.621 10 10 KJCE CC1(C)C=C(CSc2ccccc2C(=O)O)c2cc(F)cc3c2N1C(=O)C3=C1SC(=S)NC1=O 2297731527 LNLGYCALTUHMMQ-UHFFFAOYSA-N 512.609 4.697 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1F 2313541182 ZNXLHZWECIEHAO-UHFFFAOYSA-N 586.357 4.993 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313557765 LJRLDIXJHQEAFT-UHFFFAOYSA-N 648.297 4.714 10 10 KJCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314413729 GBVZBLCCMWOBET-HKUYNNGSSA-N 506.653 4.556 10 10 KJCE CCCOc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 2314765146 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CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864020314 ARAIMZJBWFDMOV-OXXMVXCNSA-N 520.674 4.682 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864023004 TZVANBSHPWEPCY-FQEVSTJZSA-N 524.499 4.675 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030093 CDLFBWLCBQBWHI-MHZLTWQESA-N 538.648 4.957 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030587 MOCBALUEVVLHDK-XDHUDOTRSA-N 537.060 4.902 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867767067 DJAGWLAPYKCHLE-SHQCIBLASA-N 530.069 4.556 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CCc3ccccc3F)CC2)cc1 1868600431 WJQGEWJNUUTOHE-NDEPHWFRSA-N 535.685 4.534 10 10 KJCE COc1ccc(OCCN2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165862 UOSFEKFBYDRSTE-UHFFFAOYSA-N 531.653 4.666 10 10 KJCE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873420855 XFMNTOMHMGOCMD-UHFFFAOYSA-N 500.599 4.670 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1cccc(C(F)(F)F)c1 2297346703 UWEXRWGXYUTTNB-UHFFFAOYSA-N 504.262 4.925 10 10 KJCE CC(=O)NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4cccc(C(F)(F)F)c4)N=C3C)o2)cc1 2297561872 PXJHRDFNAZQVMR-UHFFFAOYSA-N 517.485 4.596 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 2313683643 MRCYXKRPAZORMD-UHFFFAOYSA-N 531.565 4.645 10 10 KJCE COc1ccc([C@@H](CNC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)N2CCCCC2)cc1 2314625120 AUCGOIVQVRJFFE-HSZRJFAPSA-N 527.687 4.769 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1 2314837852 XPGNKCNAOFFQLA-UHFFFAOYSA-N 542.205 4.601 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(C)c1 102464165 PNQXMUOFRWNEQT-INVDLJJISA-N 531.981 4.939 10 10 KJCE CCCCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@H](C)c2ccccc2)c1 103107334 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KJCE COc1ccc(OCCn2cc(C=C3C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c3ccccc32)cc1 2297559178 ZBPGFJZAXIBKDN-UHFFFAOYSA-N 511.603 4.869 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526412 UMYPTLFVVAEZIW-RVMZHNTDSA-N 530.374 4.701 10 10 KJCE CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@@H]1N=Nc1cc(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)O)c3)n2)ccc1S(=O)(=O)O 255966331 CBYJYUPPRYTYSA-OAQYLSRUSA-N 807.032 4.934 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862143044 HSRQOEZCMJWJAA-UGZZVRHTSA-N 511.666 4.908 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010609 OXDZRPJCAVYMKD-MHZLTWQESA-N 536.563 4.895 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865026411 NJRNTWDCSJDLOX-QHCPKHFHSA-N 511.022 4.648 10 10 KJCE CCCC[C@H](NC(=O)[C@H]1CCCN1Cc1ccccc1F)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866919428 PTSCFKNYABNFJS-RRPNLBNLSA-N 541.623 4.879 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867306190 NJPIHXSEJQERBO-JHOUSYSJSA-N 644.769 4.898 10 10 KJCE COc1ccc(CN2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873166018 YOLNRACUOQWFIV-UHFFFAOYSA-N 531.653 4.796 10 10 KJCE CCN(CC)CCCN1C(=O)C(NCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166262 JEEDBDIRSUVLBD-UHFFFAOYSA-N 514.670 4.704 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(C(=O)OCC(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421311 QSZVOJJURNTGNB-UHFFFAOYSA-N 528.653 4.661 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296715287 FOERGFMLNQWMKD-OALUTQOASA-N 518.708 4.929 10 10 KJCE Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 2313560924 LUBKBQHJPXMULF-UHFFFAOYSA-N 522.355 4.530 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314627537 HFULBTKBYAURTO-XMMPIXPASA-N 523.724 4.942 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314828515 DZFDXOFPFMZMRH-KAGYGMCKSA-N 558.747 4.600 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1OC 101731114 NSYWVRWSAIGYDV-QGOAFFKASA-N 573.531 4.551 10 10 KJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1OC 526383878 RGWAMTLFEDZRFJ-HSZRJFAPSA-N 513.930 4.843 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015459 RRAQDJIOUIXFEO-HXUWFJFHSA-N 530.547 4.753 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865030361 IJBDGSSIQZCJLS-XMMPIXPASA-N 522.621 4.777 10 10 KJCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865030785 QZJHBLZJJDVRRC-UQBPGWFLSA-N 522.605 4.904 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865035228 OQNAUEUAUQZCCI-CMJOXMDJSA-N 541.023 4.651 10 10 KJCE 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CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867168926 YEDNMFTZKGYACN-HSZRJFAPSA-N 524.552 4.632 10 10 KJCE Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867824169 ANRIHMYJIRDSLA-IHLOFXLRSA-N 512.698 4.746 10 10 KJCE COc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C2=O)cc1 2294503650 DOHVXNUWFNFZKE-UHFFFAOYSA-N 501.970 4.573 10 10 KJCE COc1ccc(-c2ccc(C=C3C(=N)N4N=C(COc5cccc(C)c5)SC4=NC3=O)o2)c([N+](=O)[O-])c1 2297348085 GDVFXROHVWHNJR-UHFFFAOYSA-N 517.523 4.870 10 10 KJCE CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580017 HLBHTDPTIGZEFV-FQEVSTJZSA-N 519.486 4.739 10 10 KJCE O=C(CN1C(=O)/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 33330250 HENSZRZRFCTQHN-WCWDXBQESA-N 517.607 4.625 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 34882386 GLQYBVMPQSETPD-UAQPTAFESA-N 515.526 4.506 10 10 KJCE CC(=O)NCCN1C(=O)/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 1858586826 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636.149 4.924 10 10 KJCE CC[C@@](C)(NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868991616 BWLMGFIRROFXGW-WJOKGBTCSA-N 532.685 4.958 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5ccccc5OC)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869197613 KUUPQQPEBZNQHB-UHFFFAOYSA-N 564.734 4.852 10 10 KJCE CCCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870780967 CMMYJBVTESWWIZ-UHFFFAOYSA-N 505.659 4.745 10 10 KJCE COc1ccc(N2CCN(Cc3ccc(C(=O)Nc4ccc(I)cc4)cc3)CC2)cc1 1872883934 DKSSTRYZVZZDHP-UHFFFAOYSA-N 527.406 4.874 10 10 KJCE COC(=O)c1ccc(CN2C(=O)C(NCc3ccccc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164377 YZRHZSQUTQJICZ-UHFFFAOYSA-N 519.601 4.951 10 10 KJCE COCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(OC(C)(C)C)cc2)C1=O 1873165567 PNDZKHUYWIRNJR-UHFFFAOYSA-N 501.627 4.788 10 10 KJCE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc(OC)cc3)C2=O)CC1 1873170514 CJVMODJLQAWKIK-UHFFFAOYSA-N 555.675 4.952 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873418938 HYDKJBRDJJPNQB-UHFFFAOYSA-N 535.648 4.831 10 10 KJCE CCCCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546073 LGFJBWKXRSDFGU-FQEVSTJZSA-N 508.669 4.622 10 10 KJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 2297310243 XUIAWXIRGPYNLT-UHFFFAOYSA-N 508.600 4.971 10 10 KJCE CCOc1c(Br)cc(C=C2SC(=S)N(CC(=O)OC3CCCCC3)C2=O)cc1OC 2314740819 OFYSNNUXBBFRGF-UHFFFAOYSA-N 514.463 4.934 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314767751 HWVHOGNEIBLLCK-JOCHJYFZSA-N 607.548 4.820 10 10 KJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(NC3CC(C)(C)NC(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S 25580893 BJIJDJKUTPXOAM-YDDPGSGASA-N 513.733 4.724 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCC(C)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33468384 YJGQBMAAXPJQPW-HMAPJEAMSA-N 520.680 4.649 10 10 KJCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)c2)C1 101013909 RKJSIVNTMOMNLK-SOCDCLKXSA-N 538.720 4.695 10 10 KJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 103880498 YEFXACDZAQEKCV-UDWIEESQSA-N 503.356 4.626 10 10 KJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCc1ccccc1[N+](=O)[O-] 104372389 UNRWLOMFKDSGBB-PDUPYCKDSA-N 517.976 4.775 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 1084481293 ADVGTNYSUOJCPH-JAIQZWGSSA-N 525.330 4.842 10 10 KJCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864010784 BPUWGIYPIPTYAL-VWLOTQADSA-N 520.605 4.714 10 10 KJCE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014453 VJGFPPKUHFZJIZ-VWLOTQADSA-N 538.604 4.713 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865030845 SJSDZXVAGHBUJH-RPPIVITFSA-N 534.632 4.633 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031653 LLLKUOHHIOWQCN-PNCHPQGNSA-N 502.615 4.570 10 10 KJCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)C1 1865031911 QYJMWLVVERKAJR-RRQZXNHTSA-N 537.620 4.545 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H](N)Cc2ccc(O)cc2)sc(C)c1-c1ccc(Br)cc1 1866018101 PWFWSGBINMULIJ-SFHVURJKSA-N 503.418 4.877 10 10 KJCE CCCN(CCC)c1cccc(C(=O)N[C@@H](CC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1866601091 QXCCJERKLHDLHL-QFIPXVFZSA-N 512.610 4.631 10 10 KJCE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867909907 MELSDUMEKKCQIY-CLJLJLNGSA-N 544.096 4.946 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868933282 YCKOSZHHRSNYPR-PMERELPUSA-N 558.698 4.695 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccccc3)c3ccc(F)c(F)c3)C(C)C)CC2)cc1 1868950772 SPPCKUAEEDIKKC-PDDLMNHVSA-N 535.635 4.985 10 10 KJCE CCCCNC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870952546 BKOFHBNCYUNRLH-UHFFFAOYSA-N 511.626 4.942 10 10 KJCE COc1ccc(Br)cc1C=C1SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 2314764806 MUJRUZNLKRTKMX-UHFFFAOYSA-N 528.247 4.766 10 10 KJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139743 NACHQKRCPYLRTK-UHFFFAOYSA-N 503.521 4.677 10 10 KJCE COc1ccc(CCNC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccc(OC)cc4)C[C@@H]23)cc1 169677338 HPGFRNOIKTZNOW-XCZPVHLTSA-N 539.598 4.949 10 10 KJCE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OCC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526564974 HCUDRCZEYJVZTK-SANMLTNESA-N 519.550 4.747 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc(I)cc1 1084320326 MOFQTBPDFDYFHB-MOSHPQCFSA-N 542.304 4.676 10 10 KJCE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c(C)c1 1084385167 BOHKLXYSPFYCEG-BKUYFWCQSA-N 536.382 4.618 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2nc3ccccc3[nH]2)sc(C)c1-c1ccc(Cl)cc1 1860746877 IPJYYQVWQHOLPM-UHFFFAOYSA-N 511.003 4.727 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)sc(C)c1-c1ccc(Cl)cc1 1860759530 VESLBBQHNKNICW-UHFFFAOYSA-N 500.960 4.537 10 10 KJCE O=C(N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1cc(-c2ccco2)on1 1866639914 IWQSUXYQWSWSNN-AREMUKBSSA-N 517.497 4.820 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867628475 LCYNUKUZEADERB-QOEXFKEZSA-N 733.841 4.868 10 10 KJCE COc1ccccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867912637 AESPKOIZKCSREM-FQLXRVMXSA-N 546.687 4.585 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867946222 JBTUNKGLCRJNJU-UHFFFAOYSA-N 534.708 4.725 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868837422 DCVXKENTKKRDSQ-NFQMXDRXSA-N 568.487 4.777 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)s4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869970944 ULLKNCBKHYYLKP-UHFFFAOYSA-N 529.453 4.645 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871527231 CHLVRSAWLCGROD-UHFFFAOYSA-N 509.658 4.910 10 10 KJCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873418404 GZNFCTHZPROQDA-UHFFFAOYSA-N 506.562 4.668 10 10 KJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1 2293488605 MJWPAKKVBQKVOA-UHFFFAOYSA-N 523.383 4.767 10 10 KJCE COc1cc(C=C2C(=O)N(c3cccc(Br)c3)N=C2C)cc(I)c1O 2297296556 DEYKYTJICRUMBT-UHFFFAOYSA-N 513.129 4.574 10 10 KJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 2297298472 MXCKWSCWXVQTED-UHFFFAOYSA-N 507.999 4.756 10 10 KJCE CC(C)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 2314475663 ABOJRFXTXGQRJI-UHFFFAOYSA-N 526.709 4.647 10 10 KJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)ccc1OCc1ccccc1 101035276 SJBZIQAYLDYEON-PLRJNAJWSA-N 540.707 4.895 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3C(C)=CSC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 104602326 GYDPUDJATSHJCZ-STVRALQESA-N 506.584 4.668 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(NCc4ccco4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 105762700 OUJXXZUWWPQUHG-UCQKPKSFSA-N 562.673 4.669 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 150432412 UCCZJJDYVKQCEW-ZXVVBBHZSA-N 667.792 4.672 10 10 KJCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)C1 1865031714 MVFVKXYGZQNUBB-BFUOFWGJSA-N 548.949 4.909 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867524932 SBVVJGGMQUKFDZ-FIRIVFDPSA-N 601.792 4.923 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868254740 ZMIXQUAPIYNICY-MHZLTWQESA-N 563.633 4.743 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868274976 KOUOYJDNBKGHQL-RUZDIDTESA-N 529.600 4.504 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 1868648776 BAJZXYJZAKHYOU-GDLZYMKVSA-N 573.093 4.931 10 10 KJCE COC(=O)c1ccc(CN2C(=O)C(NCc3ccccc3OC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165234 JQOVSOGATIOXQX-UHFFFAOYSA-N 549.627 4.959 10 10 KJCE 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O=C(O)CCCCCN1C(=O)/C(=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034456 ZURLTDRAIYOZIP-ZHZULCJRSA-N 502.589 4.689 10 10 KJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OCC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526277287 TXUULLZEIHZQTQ-VWLOTQADSA-N 505.523 4.739 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 1084443607 BKYXYSZIVIKXGZ-MUUNZHRXSA-N 683.568 4.828 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864010335 KNZILAMGOFNYCT-SANMLTNESA-N 524.621 4.864 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)cc1 1864015772 FJLPTXSKFUQXQG-AREMUKBSSA-N 545.599 4.665 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864019351 JGFNBILJJURMMR-QHCPKHFHSA-N 541.048 4.517 10 10 KJCE COc1cc(/C=C/C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(Br)c1OC 1865912607 UMUZZEZEQLNXCI-IYJBSMEOSA-N 516.480 4.889 10 10 KJCE 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COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313559392 XOYMPUUJTIVDQQ-UHFFFAOYSA-N 664.365 4.879 10 10 KJCE COc1cc(C=C2SC(=S)N([C@@H](Cc3ccc(O)cc3)C(=O)O)C2=O)ccc1OCc1ccccc1 2318684270 XDDDOLRSEQWRQM-NRFANRHFSA-N 521.616 4.877 10 10 KJCE CCOc1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15047510 KGTYEQKJHCKENY-OTWJJXBCSA-N 507.431 4.782 10 10 KJCE CCN1CCN(c2c(/C=C3\SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(C)c(C#N)c(=O)n2CC)CC1 110521149 WMHNKOSYYRSDHF-QQTULTPQSA-N 601.839 4.987 10 10 KJCE CCCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 110529083 CQBORLSGVJNHJZ-HLILLCKBSA-N 535.739 4.543 10 10 KJCE CCCCOCCCNC(=O)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OCC 1860758492 KIEFFMCYVNWXQG-UHFFFAOYSA-N 525.465 4.924 10 10 KJCE CC[C@@](C)(NC(=O)CCCOc1ccc2ccccc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862224395 QKCWPXWRHIVKEW-SSEXGKCCSA-N 503.643 4.641 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 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Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)c1 1864021689 FPSOWFBBTUWRQW-HXUWFJFHSA-N 530.547 4.597 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865027371 HUMZQHBRCUEUKN-QHCPKHFHSA-N 509.006 4.731 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865031094 YXAUCBMZNIWTNK-KBMIEXCESA-N 516.642 4.557 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1 1865032052 UUSNTZRFKQHDAY-HSZRJFAPSA-N 528.996 4.921 10 10 KJCE CCCCOc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC 1867674658 IITFOWLYNNNOFF-WNCULLNHSA-N 538.733 4.792 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)C(C)C)CC2)cc1 1868719674 QUIRTRMVTZJDIU-PQHLKRTFSA-N 535.635 4.985 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@@H]5C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279814 CVAPBQOMPHFBBX-LJAQVGFWSA-N 582.655 4.703 10 10 KJCE CCN(CC)CCCn1cc(OCC(=O)NC(C)C)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870943738 KMVTZQNVDJUDAX-UHFFFAOYSA-N 519.690 4.839 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 2296550454 YYGSBDZHQQJGNI-UHFFFAOYSA-N 509.341 4.736 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 2313559664 KIYSFAXKXODUFA-UHFFFAOYSA-N 552.337 4.611 10 10 KJCE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3nnc(CSc4nc5ccccc5o4)s3)cc2)SC1=S 2314488136 JFXNFQATXKVGIG-UHFFFAOYSA-N 555.688 4.820 10 10 KJCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 2533751 APFWXSNIRYZNQQ-WCWDXBQESA-N 517.607 4.891 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)C1 110558677 JTKPFEAPUQREII-LZSGNZRWSA-N 610.783 4.882 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015884 FQHSEFRKXAMDQI-OSPHWJPCSA-N 528.584 4.758 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1F)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865067992 CAVAMRMENXQMJN-AREMUKBSSA-N 547.675 4.683 10 10 KJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(C(C)(C)C)cc1 1865125747 UPRJZHKKFHLEBS-SANMLTNESA-N 529.685 4.561 10 10 KJCE COc1c(Br)c(C(=O)N[C@H](c2ccc(N(C)C)cc2)c2nccn2C)c(Br)c(OC)c1OC 1865880258 RJNNPOJIDWSOMH-GOSISDBHSA-N 582.293 4.556 10 10 KJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865898889 UFEXVSCVPXQNFN-HHHXNRCGSA-N 535.648 4.931 10 10 KJCE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866888139 HUCNJSJPLJPKII-MHZLTWQESA-N 565.601 4.778 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867784024 LLWKJACRCMRNMA-LXANVCGNSA-N 612.775 4.946 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867910008 DCJINPJGXKRPIA-FIRIVFDPSA-N 636.149 4.924 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CC(C)(C)c6ccccc6[C@@H]5C4)nc(C(C)C)n3)CC2)cc1 1869102961 BHWLYZDFFICBHD-MHZLTWQESA-N 540.712 4.616 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N(CCN2CCN(C)CC2)c2ccccc2Cl)n1 1869231575 YOFULTLWGZBVAP-UHFFFAOYSA-N 564.178 4.803 10 10 KJCE CCCCOCCCn1cc(OCc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870466664 JRAIHEMYAWPCHU-UHFFFAOYSA-N 519.686 4.965 10 10 KJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1[N+](=O)[O-] 2313549064 MHWYIBXUOSOHKX-UHFFFAOYSA-N 501.539 4.738 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 2313560822 HWYMWYRDNUGWHM-UHFFFAOYSA-N 516.691 4.937 10 10 KJCE CCCCCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 102688339 BPNNRWAQPPGVET-IFRHDIGASA-N 522.696 4.930 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(F)cc1 103784701 NXDUXEJBUNYIHK-KMBIYUNPSA-N 550.055 4.998 10 10 KJCE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 110531067 JLTGEDQERHJBBO-MOHJPFBDSA-N 535.739 4.766 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](c5cccc(C(F)(F)F)c5)N[C@](Cc5ccc([N+](=O)[O-])cc5)(C(=O)O)[C@@H]4C3=O)ccc21 247434404 VJDUECSYVDEXJP-NWMGRYHGSA-N 683.595 4.901 10 10 KJCE O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12 1083871227 GDSLWMHVQMGHRG-JMIUGGIZSA-N 522.330 4.846 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\Nc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1C 1084090518 DMEWJYVSSGBQRW-XDHOZWIPSA-N 522.403 4.506 10 10 KJCE Cn1cc(/C=C2/C(=O)N(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c3cc(Cl)ccc32)c2ccccc21 1614978115 NPMRRGOIGHIZJN-VCWDSGFXSA-N 511.025 4.957 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864008867 UERCYLDAMBXPDT-OFVILXPXSA-N 504.631 4.821 10 10 KJCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864012051 PVOLLSNMZOFEJV-WTQBOQAGSA-N 544.627 4.570 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(F)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012441 ZXWKYXQFPLVTKQ-CRYYWNKWSA-N 542.611 4.925 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014718 AVCUVQGXYNBOQW-GTNSWQLSSA-N 522.911 4.565 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1c[nH]c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864016419 OQRZNRBZWZRRRD-VWLOTQADSA-N 535.604 4.516 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864022566 OUMIFKPDFPVTNC-GOSISDBHSA-N 508.541 4.503 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3ccc(C)cc3)CC2)cc1 1865182956 VDNXTSPWGVSWLU-GDLZYMKVSA-N 549.675 4.850 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)cc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969153 HLJTVMDHHLBWRD-UHFFFAOYSA-N 517.033 4.746 10 10 KJCE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873168577 AEBCQICVMIWDSB-SANMLTNESA-N 513.638 4.638 10 10 KJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccccc1OC 2297303608 BFFVLWGXUSSFPE-UHFFFAOYSA-N 557.431 4.645 10 10 KJCE CCN1C(=O)C(=Cc2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)C(=O)NC1=S 2313624039 JQSRLIKXHWJNNK-UHFFFAOYSA-N 526.456 4.746 10 10 KJCE CC[C@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314400669 PZLLUCYEJZQUHK-IBGZPJMESA-N 548.690 4.902 10 10 KJCE O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 2314828543 GITCFONSCWDNMR-OAQYLSRUSA-N 608.207 4.731 10 10 KJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2C[C@H](C)O[C@H](C)C2)SC1=S 39991312 AATDYGGEYTXAET-LODLPNETSA-N 516.733 4.834 10 10 KJCE COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1 100276025 QJDSZCBJQKXBLA-ZXVVBBHZSA-N 510.590 4.610 10 10 KJCE Cc1ccc2nc(NC[C@H](O)c3ccccc3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 101012906 JVBQVOHWRSZIBH-XMHVBLFMSA-N 546.649 4.689 10 10 KJCE CCOC(=O)CCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 101742628 DXQPPVDNDSVSOV-XMHGGMMESA-N 587.558 4.640 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911420 WVOGFIMZIGGJJA-ZYZBMILISA-N 588.773 4.609 10 10 KJCE O=C(CCN1C(=O)C[C@H](N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C1=O)Nc1cccc(C(F)(F)F)c1 106600411 CTMVJFPUZGPEBS-SGLAVLAQSA-N 559.591 4.619 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 1084213029 IFUMHSJZDLZWKC-KGENOOAVSA-N 535.394 4.741 10 10 KJCE Cc1c([C@@H]2N[C@](Cc3ccc4ccccc4c3)(C(=O)O)[C@H]3C(=O)N(Cc4ccc5c(c4)C(=O)c4ccccc4C5=O)C(=O)[C@@H]32)c(=O)n(-c2ccccc2)n1C 1088595957 ZNVRXSDBIBWLMV-KTLLVXBQSA-N 730.777 4.925 10 10 KJCE O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866573324 VNGQUIYZQHMKRV-LJAQVGFWSA-N 557.606 4.948 10 10 KJCE CSCC[C@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867415898 OTGBGFQCHQVFJV-DQEYMECFSA-N 561.590 4.710 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867456454 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CCC(=CC(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1)c1ccc(OC)cc1 2329523025 USBDLKIPMUHPBX-PMERELPUSA-N 513.638 4.704 10 10 KJCE Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 59948315 MWJSILPXNACYJJ-FSSWDIPSSA-N 505.448 4.709 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)[C@H]3Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)CC2)cc1 102768464 ZBVWKKRXAXTKRP-YUDQIZAISA-N 576.738 4.806 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 214758083 QDSUGGBDCZTCNX-XSFVSMFZSA-N 501.586 4.709 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 253575370 UMYPTLFVVAEZIW-IUBJVUOCSA-N 530.374 4.701 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 725431812 JRFRFEYVODZEFE-MUUNZHRXSA-N 683.568 4.828 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864016512 QXYHYRWKGIEBRO-JOCHJYFZSA-N 534.975 4.633 10 10 KJCE 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1864011606 WKYHRGRFXUIEPD-AREMUKBSSA-N 524.621 4.680 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864015775 FJLPTXSKFUQXQG-SANMLTNESA-N 545.599 4.665 10 10 KJCE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1 1864016690 VMFPYQKJSNPADG-AFMDSPMNSA-N 545.599 4.918 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864018484 LYPDJOUPYWVKAU-NSYGIPOTSA-N 528.584 4.616 10 10 KJCE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031554 JJDJWOLEUFLAHZ-IBGZPJMESA-N 548.949 4.909 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@@H]3c3sccc3C)CC2)cc1 1865339791 JUBQQUWZSFZUKY-QHCPKHFHSA-N 541.677 4.509 10 10 KJCE CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccccc2)n1 1867968461 SRGQCYPWFKNAES-UHFFFAOYSA-N 503.647 4.648 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(F)cc3)c3cccc(F)c3)CC2)cc1 1868712939 JWHWIRUEAQNDPW-HHHXNRCGSA-N 521.608 4.739 10 10 KJCE CC[C@@](C)(NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868773450 JOTLAHUBBPPQDF-GDLZYMKVSA-N 570.521 4.924 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868846972 WMHNWOGXYXPPPR-KYJUHHDHSA-N 513.682 4.820 10 10 KJCE CCCN=c1nc(Nc2ccc(Cc3ccccc3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871656917 DZFXHIVILLOQRK-UHFFFAOYSA-N 509.658 4.785 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2313562072 CGFXGIKVLKPUEC-UHFFFAOYSA-N 515.161 4.669 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314408639 WIOHAMUWJKSWJI-UHFFFAOYSA-N 601.729 4.879 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(NCc4ccco4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314413938 LYFKKUHPJTZCIU-UHFFFAOYSA-N 562.673 4.669 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1OC 2323678270 ULVYJLRDTYAKRP-INIZCTEOSA-N 503.598 4.615 10 10 KJCE COc1ccc(OCCOc2c(Br)cc(/C=C3/C(=N)N4N=C(C)SC4=NC3=O)cc2OC)cc1 100711685 OTDZRGLCILFJPM-CGQRCSLRSA-N 545.415 4.563 10 10 KJCE CC[C@H](C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S 102681092 HQAYDDOXTMGHGB-HINJULBWSA-N 526.709 4.789 10 10 KJCE CC[C@@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 105642869 XOTBJOWIMGPSKO-SEDGDDRASA-N 586.743 4.667 10 10 KJCE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)sc2c1CC[C@@H](C)C2 211911067 KRWGOUOFBUNDRW-MQMKENTISA-N 560.719 4.907 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526156613 QAEMCLDPYFVJPE-HSZRJFAPSA-N 526.339 4.697 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526623732 KXPZSEAXVPOMAA-HHHXNRCGSA-N 503.551 4.905 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864007228 ICRINQMQQDJCKB-HLNIAZEUSA-N 509.006 4.635 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864013716 ZFMCDWXUOVMQKI-RUZDIDTESA-N 546.574 4.584 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015059 IVNYNWZWVNDCCZ-MRXNPFEDSA-N 543.329 4.828 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864022216 KTMYIFSNIGPAMO-HXUWFJFHSA-N 524.499 4.676 10 10 KJCE Cc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865027255 WXMDSJXTNGLJKC-KVUJLMPWSA-N 546.643 4.912 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865031828 OYXPVZGSYDAOSD-IBGZPJMESA-N 516.520 4.646 10 10 KJCE CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(-c2ccccc2)nn3C)cc1 1865497658 UBPCQBNHCBJMRH-HHHXNRCGSA-N 549.675 4.702 10 10 KJCE Cc1oc(-c2cccc(F)c2)nc1CC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866654760 JUGPCYFMBZGATC-UHFFFAOYSA-N 525.536 4.641 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@@H](c3ccc4c(c3)OCCO4)C3CC3)c3ccccc3)CC2)cc1 1868693416 NKLPPGJXTKDRSN-AKGWNBJDSA-N 555.675 4.556 10 10 KJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1OC 1873168620 CCRPFVJWJTUKNY-UHFFFAOYSA-N 531.653 4.796 10 10 KJCE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(CC)CC)C1=O 1873425794 MFNWWMVMUXTBTG-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 2296070796 KUDJPSMQEGZNKQ-UHFFFAOYSA-N 527.606 4.832 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4/Sc5ccccc5NC4=O)cc3)CC2)cc1 20728764 UKDIDWHVQBWCBZ-SGWCAAJKSA-N 528.678 4.723 10 10 KJCE COc1cc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 37243004 XBRBDPQLQNRWRF-PFBJBMPXSA-N 509.558 4.735 10 10 KJCE biogenic COCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)SC1=S 39836017 SGVNSWLEZAJRTL-LDADJPATSA-N 502.017 4.605 10 10 KJCE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110531152 KHHNBQRMKVUBBS-XCOOOMCFSA-N 577.776 4.535 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1/C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 205959282 LZIMZJFNRAZHQA-KOEQRZSOSA-N 501.539 4.636 10 10 KJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 205969744 LHLIBVJBUUGSAA-ZXVVBBHZSA-N 584.614 4.936 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007959 YCPMWJMLCHPNKI-CRYYWNKWSA-N 540.620 4.735 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(Cl)cc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008588 NJDCJLSJYJMKJK-DEOSSOPVSA-N 516.985 4.565 10 10 KJCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(C)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864011156 QTYMXQKAKPTMSR-MUUNZHRXSA-N 548.599 4.765 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011326 GTOUPEFNBZOGPN-CBZJRKILSA-N 542.611 4.925 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865035133 MDWUGVLHWCOGSP-QHCPKHFHSA-N 525.049 4.902 10 10 KJCE O=C(CCc1nc(O)c2ccccc2n1)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867260995 CUUCSRHZIJTNAI-HHHXNRCGSA-N 588.595 4.549 10 10 KJCE COCCN1[C@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)C[C@H]1C 1868564676 QVXZXCPITSQIDP-NHCUHLMSSA-N 548.647 4.603 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccccc4C)oc3C)CC2)cc1 1868633391 RESCAIRDYWSNNQ-SSEXGKCCSA-N 552.675 4.586 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868843820 SCAJSRJJJQKYIO-XZWHSSHBSA-N 531.672 4.959 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1 1868891786 WGPQUQWQIWXIQA-AJTFRIOCSA-N 509.716 4.588 10 10 KJCE CC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869006563 ALIMMCJEGBWXPS-VWLOTQADSA-N 573.097 4.793 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CCCOc4ccccc4)c3)CC2)cc1 1874734372 WLJHIDKGTVISBA-UHFFFAOYSA-N 502.611 4.855 10 10 KJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 2314578499 SBUQHLYHXQKJSA-UHFFFAOYSA-N 508.672 4.871 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 110391348 QLZSXLLYAXTVHW-QKENFWJHSA-N 548.690 4.615 10 10 KJCE CC(=O)O[C@@H]1CCC2=C(CC(=O)N[C@@H]3[C@]2(O)C(=O)C(=O)[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@]32C)C1(C)C 261493312 RBXLMFLETQIDJM-DLQQAMIHSA-N 529.718 4.691 10 10 KJCE COc1cc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526140848 NGUBJKJCUBUODK-DEOSSOPVSA-N 513.930 4.843 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1OC 1858587874 FYHWAYWWQNCKMQ-MLHZQLSASA-N 502.570 4.809 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865032730 JJDROBBOWPXGJK-OYHNWAKOSA-N 509.006 4.595 10 10 KJCE Cn1nc(C(=O)N[C@@H](C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1-c1ccco1 1867246170 ZYLNZTMOVSBBAP-HHHXNRCGSA-N 530.540 4.565 10 10 KJCE CCOC(=O)[C@@H]1CCCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(Cl)cc3)n2)C1 1867982669 UWYQLFDFVLDVAK-JOCHJYFZSA-N 536.076 4.912 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4c4nc5c([nH]4)CCCC5)nc(C(C)C)n3)CC2)cc1 1869099332 ATMFFJFJJOWXLL-VWLOTQADSA-N 501.679 4.879 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN3CCOCC3)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1873170206 QUSQYLNNJMKEGW-UHFFFAOYSA-N 566.624 4.705 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3)CC2)cc1 1874735252 CFXUUCVFVSTPKM-UHFFFAOYSA-N 523.973 4.871 10 10 KJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCCCCC(=O)O)C1=O 2314508740 QHCSJCBYWCDJTF-UHFFFAOYSA-N 523.636 4.950 10 10 KJCE O=C(Cn1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)c2ccccc21)NCc1ccco1 883646 ZSNFIIOQVHHLJV-MTJSOVHGSA-N 502.914 4.711 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1 103083034 ZPOFLBNVFPAOSU-DEOSSOPVSA-N 530.522 4.650 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCCCC3)nc12 105646877 HAPCGDWPGYPUKB-HMAPJEAMSA-N 534.663 4.513 10 10 KJCE Cc1c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1[N+](=O)[O-] 108207048 WCJCNUKTTFKPMM-XSFVSMFZSA-N 514.538 4.877 10 10 KJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OCC)[C@H]2c2ccc(O)c(O)c2)cc1 526279545 NFZVMLSKRYOLOJ-XMMPIXPASA-N 505.523 4.739 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NCc3ccccc3Cl)c2C(=O)OC)cc1 1860763236 AABFEUMNBFIVDJ-UHFFFAOYSA-N 572.083 4.666 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864007188 HLWYXIYXODORFX-DEOSSOPVSA-N 516.985 4.565 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009538 AETCOAKBNBVTRB-AREMUKBSSA-N 524.621 4.598 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009765 DDFHQWURYMAQGE-QHCPKHFHSA-N 541.048 4.515 10 10 KJCE CCc1sc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866026089 GRADCWOLMKGWTH-UHFFFAOYSA-N 572.393 4.670 10 10 KJCE CCC[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866874780 GIDJOLMPXUUSTA-JOCHJYFZSA-N 522.605 4.944 10 10 KJCE CC[C@](C)(NC(=O)c1cccc(Br)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867413886 GKDAGVOGPGVFSK-IGKIAQTJSA-N 529.523 4.757 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867505509 FYFJSEZWACDMPS-XLWWBGEVSA-N 653.824 4.842 10 10 KJCE CCCCCCN=c1nc(Nc2ccc(OC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871692329 BMGGGECISMIVOZ-UHFFFAOYSA-N 505.667 4.682 10 10 KJCE CCCCn1c(C(=O)NCCc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873577922 ORXFEZHEGYHTIM-UHFFFAOYSA-N 512.658 4.539 10 10 KJCE CC(C)(C)OC(=O)NCC1(NCc2ccc(Br)cc2O)CCN(Cc2ccccc2)CC1 2067207115 JAWJTAFQCMGBJO-UHFFFAOYSA-N 504.469 4.804 10 10 KJCE O=C(O)CCCCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2296707725 AUVPPHVDZOVXEE-UHFFFAOYSA-N 576.744 5.000 10 10 KJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C 2296713445 BXBOVIIMOZROOB-UHFFFAOYSA-N 529.666 4.804 10 10 KJCE CC(C)[C@H](NC(=O)c1ccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 2297580154 URLYXIICWMHVLG-SFHVURJKSA-N 508.543 4.950 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314414004 NFHGPKOTUBGHLX-WOJBJXKFSA-N 600.770 4.689 10 10 KJCE O=C(CCN1CCOCC1)NN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S 2314488189 KALAARMDBVAZTH-UHFFFAOYSA-N 545.992 4.574 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@@H](C)C[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 100886251 RKLUUZSAJWLVGP-DCLIDFSISA-N 534.707 4.895 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccccc1Cl 1084574312 ARXHOXGPXLNMSD-AREMUKBSSA-N 532.065 4.859 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013125 QMHZVEYRJWCKQN-VWLOTQADSA-N 546.574 4.584 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015253 NFPVOHSPSVXUIG-SFHVURJKSA-N 536.938 4.813 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864023220 VYRYGRMCAYNNBJ-OSPHWJPCSA-N 526.593 4.568 10 10 KJCE CC[C@@H](NC(=O)Cc1nc(-c2cccc(C)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866648745 UQRYSMDAQVESRO-HSZRJFAPSA-N 521.573 4.810 10 10 KJCE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21 1867199730 LIADPISWSFVHIM-MHZLTWQESA-N 589.623 4.835 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867474841 DTNXTLQDQPTVMF-LBFZIJHGSA-N 681.834 4.532 10 10 KJCE CC[C@H](NC(=O)[C@H](CC(C)C)c1cccc(Br)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869012663 CDNLTNSCFFAAII-RPBOFIJWSA-N 530.507 4.831 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@H]3CCCO3)nc12 2296696373 NVDODKFVVMUOFE-PKOBYXMFSA-N 506.653 4.556 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2297617274 ADZXSIJJFAEBDG-UHFFFAOYSA-N 568.405 4.776 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)ccc1OCc1ccc(F)cc1 2313560624 ADVGTNYSUOJCPH-UHFFFAOYSA-N 525.330 4.842 10 10 KJCE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 2313562064 BTOZMFVXWVMGNF-UHFFFAOYSA-N 507.999 4.839 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314934998 LXWKIQJTRRJVQE-HNNXBMFYSA-N 528.652 4.781 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCC(=O)O 2314935719 RMNBCVPQFOXZMP-UHFFFAOYSA-N 578.668 4.982 10 10 KJCE CC(C)N1C(=O)/C(=C\c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 33722804 NHNIFLODBUWXMR-LFIBNONCSA-N 502.415 4.859 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 100860258 OUEFIJRRSHSFIX-XIEYBQDHSA-N 571.703 4.870 10 10 KJCE CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1 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O=C1/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 101012749 URKMNGFUQFXBQU-VPGBEBNYSA-N 539.748 4.728 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 102994064 ODAYWURFQFWUNJ-PXLXIMEGSA-N 504.681 4.957 10 10 KJCE COc1cccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@H]23)c1 104628652 UTUBFIVYODGEMT-ONTIZHBOSA-N 522.340 4.697 10 10 KJCE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(N(C)C)cc4)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 248072400 STGQHNKLQCJCCF-OKUYAMHMSA-N 503.643 4.559 10 10 KJCE CCOc1ccc(-c2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1OCC 1861868906 GYNCZPSPUPHPEE-UHFFFAOYSA-N 500.599 4.998 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cn(C)c3ccccc13)[C@H]2c1ccc(O)c(O)c1 1864016293 LMZNEHYQYCJWES-SANMLTNESA-N 549.631 4.526 10 10 KJCE NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3)c2O1 1864016301 LQQSWQBBTDCNOX-VWLOTQADSA-N 534.572 4.614 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029023 DFEIBIQLDPTHDE-MWTRTKDXSA-N 523.033 4.843 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865031221 BSIFHYVCVKNTAE-HXUWFJFHSA-N 546.546 4.654 10 10 KJCE CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867324619 ZNXODTVCECJEGZ-BJKOFHAPSA-N 505.490 4.911 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCCC2)cc1 1867545317 FMNFEMPSLHXTSL-GDLZYMKVSA-N 540.708 4.835 10 10 KJCE CCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867905964 CUGYVZYJZFVGDV-LOSJGSFVSA-N 530.069 4.556 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873162527 ZXDQVCACYXFUDP-UHFFFAOYSA-N 553.751 4.770 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c(OC)c1 1873424402 FCKAIKARRBDHFT-UHFFFAOYSA-N 516.642 4.645 10 10 KJCE O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2296053598 DFDZZKRAGVRNKY-UHFFFAOYSA-N 540.066 4.900 10 10 KJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CCOc4cccc(OC)c4)c4ccccc34)C2=O)cc1 2296133127 ZSSLIWWKOQJYBI-UHFFFAOYSA-N 509.562 4.958 10 10 KJCE C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)C1 2296849770 QNSDAMZTTPUYEY-GOSISDBHSA-N 538.720 4.791 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4cccc(OC)c4)c(OCC)c3)C(=O)N=C2S1 2297307181 XFCGYCLTCOZARS-UHFFFAOYSA-N 508.600 4.971 10 10 KJCE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1 2314506526 FMIDEFCFKLCPGU-GOSISDBHSA-N 507.637 4.792 10 10 KJCE O=C(O)CCCCCN1C(=O)/C(=C\c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 33452825 XUOJBBYXJXYWED-OBGWFSINSA-N 511.650 4.692 10 10 KJCE O=C(CCN1CCCCC1)NN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 35518987 AJPGPNLMCCQABS-CPNJWEJPSA-N 521.020 4.617 10 10 KJCE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 103817186 OTMVSTWVESCHLT-RGVLZGJSSA-N 537.711 4.718 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@H]4[C@H](C3=O)[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)N[C@H]4c3cccc(C(F)(F)F)c3)ccc21 150657415 VJDUECSYVDEXJP-QWQINHBISA-N 683.595 4.901 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCc1ccccc1 1083986134 OGYRABYNVMGTOG-KGENOOAVSA-N 582.394 4.583 10 10 KJCE O=C(COc1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860558751 SQIJOKKOQFGCNQ-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864017247 IRWSBPBMKMXJQD-QHCPKHFHSA-N 547.011 4.654 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864017771 UWZXIGGXPYJVBL-QHCPKHFHSA-N 518.614 4.523 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865031117 ZGKHRAFGIPPWHE-SANMLTNESA-N 542.611 4.787 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865031262 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MWJSILPXNACYJJ-FDFHNCONSA-N 505.448 4.709 10 10 KJCE COc1ccc(OC)c(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526228785 GRWAXHPUILXAQH-QHCPKHFHSA-N 513.930 4.843 10 10 KJCE O=C1[C@@H]2[C@H](/C=C\c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 1084032800 MJWQMDAPCMJKCR-QTYCEQHJSA-N 517.459 4.741 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015096 JMEYGXUTEAREIG-DEOSSOPVSA-N 528.584 4.767 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867300898 MTLQMCCVOMNFQS-JSOSNVBQSA-N 602.732 4.678 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CS(=O)(=O)c5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869089360 CTYSFJZXKSJFBZ-XMMPIXPASA-N 549.741 4.626 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969536 PMTBCAXYRKSBHR-UHFFFAOYSA-N 524.959 4.786 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CCCCCCO)CC2)cc1 1870769220 JRZUBKVXEJEYLX-UHFFFAOYSA-N 519.686 4.619 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(I)c1OCCOc1ccccc1 2293520720 YSCZRNHVUQUHLO-UHFFFAOYSA-N 527.405 4.589 10 10 KJCE COc1ccccc1OCCOc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 2293523546 JJHCKNHGCMLUGS-UHFFFAOYSA-N 567.392 4.591 10 10 KJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314627534 HFULBTKBYAURTO-DEOSSOPVSA-N 523.724 4.942 10 10 KJCE O=C(CCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)Nc1nccs1 2314832096 ZKYZTPDCWFWLHE-UHFFFAOYSA-N 563.318 4.994 10 10 KJCE CCSc1nnc(-c2cc(Br)ccc2N/C=C2/C(=O)N(c3ccccc3)N=C2C)c(O)n1 15962496 DUEFPDPLOJSIBI-SFQUDFHCSA-N 511.405 4.837 10 10 KJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccc(CC)cc3)nc3c(C)cccn3c2=O)SC1=S 39835940 RAODZGMIFQUYDV-LTGZKZEYSA-N 509.653 4.985 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccccc4)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 54201752 LDBFYRMOAGFNMN-IZZNHLLZSA-N 527.650 4.939 10 10 KJCE CN(C)c1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 72413179 CSJBKJKDEWJZPB-DEOSSOPVSA-N 521.404 4.967 10 10 KJCE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 101013339 WWPSXJNMXIQGJV-QJOMJCCJSA-N 584.745 4.636 10 10 KJCE CC[C@@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 105649823 PZLLUCYEJZQUHK-AYBNGVQBSA-N 548.690 4.902 10 10 KJCE COc1cc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526142543 RVDSHUVAJPRQJZ-QHCPKHFHSA-N 513.930 4.843 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084360373 RHLVBPABRRIRBK-MUUNZHRXSA-N 539.657 4.657 10 10 KJCE COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c1 1084407548 LXJMKBPTQPWJMG-BOPFTXTBSA-N 529.730 4.816 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)c3ccccc3)CC2)cc1 1862216851 QMAGUSBTWNKTMT-BTYSJIOQSA-N 515.654 4.792 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864007296 KCQSKLPRUOLPIF-HSZRJFAPSA-N 537.403 4.910 10 10 KJCE CC(C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867427048 NIQMZYSSQXSSTK-ACHIHNKUSA-N 627.761 4.581 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(Cl)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970374 OVHSCVPJEAJQSU-UHFFFAOYSA-N 503.006 4.817 10 10 KJCE CCCCCOc1cn(CCCCN(CC)CC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870678954 SHSWHSGPVFNNHV-UHFFFAOYSA-N 512.739 4.870 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873165587 QGCYNIJZZQMEDR-HHHXNRCGSA-N 541.648 4.708 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccccc5)ncnc4n3Cc3ccco3)CC2)cc1 1875232861 BXSZCWTWEIPAKH-UHFFFAOYSA-N 536.636 4.698 10 10 KJCE COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC=C2C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)N=C2C)cc1 2297580413 ISGHTMRAKOOFPC-UHFFFAOYSA-N 598.729 4.894 10 10 KJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314414103 PSAYSRPHIQYVTG-UHFFFAOYSA-N 522.652 4.735 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)C(=Cc3cc(Br)cc(Br)c3O)SC2=S)cc1 2314827567 HRGWTHIIHDUXSI-UHFFFAOYSA-N 558.273 4.766 10 10 KJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccc(N(C)C)cc1 72413320 HMAOLLKJDYFIMX-RUZDIDTESA-N 516.554 4.629 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 100884323 MFUCFULBZSTMIY-NHFJDJAPSA-N 581.767 4.769 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)c1C 103813375 LAIJYROXQGXBOL-AQTBWJFISA-N 527.375 4.631 10 10 KJCE COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C(C)(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 103898877 AMBJKTATRAJQRP-SDHOMARFSA-N 509.558 4.688 10 10 KJCE O=C(CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)Nc1ccc([N+](=O)[O-])cc1O 210499090 AKFPSGHXLMULTD-LICLKQGHSA-N 509.512 4.522 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3c(F)cccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1864009162 BCYZOFUHMGWMCJ-RUZDIDTESA-N 549.002 4.763 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865029439 NCLWPPYTUCJSRZ-MHZLTWQESA-N 536.632 4.969 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1 1865032239 YRNCRIVNTWZVNK-SFHVURJKSA-N 534.922 4.663 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865035413 SVMBULYCOXUPMQ-QHCPKHFHSA-N 525.049 4.902 10 10 KJCE CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665079 AHADXUVNZMGDMO-XMHGGMMESA-N 504.414 4.909 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2ncc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc12 1866254821 USKIXAMQAQPVBL-XMMPIXPASA-N 500.006 4.701 10 10 KJCE CC(C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866594378 HRRKRNAOLRHHKB-UHFFFAOYSA-N 539.613 4.574 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867523023 GQQVNGPDCFWWOH-BIMVPBQRSA-N 601.792 4.923 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2c(F)cccc2Cl)N2CCCCC2)cc1 1867928047 VPLKXNKDZDRNBP-WUFINQPMSA-N 567.105 4.935 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868691697 OLHBXDKNSXMYBU-SXOMAYOGSA-N 511.732 4.720 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871522192 IHHROVHOPBBDTQ-UHFFFAOYSA-N 502.022 4.638 10 10 KJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)n4CC(C)C)CC2)cc1 1873550678 LBFJLYRRHTUIJS-FGZHOGPDSA-N 504.679 4.541 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(OC)c3)C2=O)cc1 2297302251 QGINECTTYSMHHG-UHFFFAOYSA-N 584.366 4.554 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1C 2313548981 KORWRQVGYBWNGQ-UHFFFAOYSA-N 510.300 4.901 10 10 KJCE Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1[N+](=O)[O-] 2313559716 NWKATMSVPDGCFV-UHFFFAOYSA-N 523.343 4.740 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OCC(=O)OC(C)C 101574590 QVDYWJXTMMQRBD-GRSHGNNSSA-N 545.386 4.683 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)C[C@@H](C)C3)SC2=S)cc1 136340643 FLCUIPKQGQVCDB-WNGFQLFOSA-N 536.723 4.500 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1cccs1 254764638 LYCXBHSHYXMJRH-VWLOTQADSA-N 517.676 4.576 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 1084417384 JOEZPKGHAGMGLW-YBEGLDIGSA-N 516.691 4.937 10 10 KJCE O=C1/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCN1CCOCC1 1858587578 MXVAVWZFCSFKNJ-JJIBRWJFSA-N 528.099 4.907 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3cccc(OCC(C)C)c3)c3ccccc3)CC2)cc1 1862257186 IBLNOLQVHOYBOA-NDEPHWFRSA-N 501.627 4.550 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009599 BUKKYGLLIXVZOT-MHZLTWQESA-N 518.573 4.756 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864009759 DBKWEMZTEVRJEE-SANMLTNESA-N 510.594 4.889 10 10 KJCE CC1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031223 BSIHEOWQKWBCTE-SANMLTNESA-N 536.632 4.963 10 10 KJCE CSCC[C@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867289239 UHXKQENXYGEAHN-IBGZPJMESA-N 566.561 4.619 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)c(F)c3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423170 HZZDRKKOFNPLSU-UHFFFAOYSA-N 501.537 4.851 10 10 KJCE COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2296629655 HLENGFVHFIGQPJ-UHFFFAOYSA-N 513.579 4.606 10 10 KJCE CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 2313565181 YKQZLOQCESLMRX-UHFFFAOYSA-N 507.930 4.511 10 10 KJCE CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OCC 2314764544 GCHYELIRKMHCTP-UHFFFAOYSA-N 507.431 4.793 10 10 KJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 102522571 BDVFSIHPXLSVLC-HMAPJEAMSA-N 521.576 4.729 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Oc4ccccc4)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 105537481 RHLVBPABRRIRBK-QWYUUOJISA-N 539.657 4.657 10 10 KJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@H]2c2ccc(O)c(O)c2)c1 526142447 QGJHNRMUIRALEQ-DEOSSOPVSA-N 513.930 4.843 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1 1084003235 LPVNVNLQYSNQAC-GDLZYMKVSA-N 537.685 4.782 10 10 KJCE O=C(Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2)cc1)c1cc(O)c(O)c(C(=O)O)c1 1554647202 IXNQPYYNGNBHPV-RTWAWAEBSA-N 534.521 4.670 10 10 KJCE Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)c1C 1860510865 VPKNGBDHVBPXGH-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030289 HIYMBPDSELPFLH-QHCPKHFHSA-N 523.033 4.656 10 10 KJCE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866676825 YMKOLPIGQGBUQQ-YTTGMZPUSA-N 551.599 4.900 10 10 KJCE CCCCN(C)c1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccccc1 1873555577 CKXLFEKCOFFDKZ-UHFFFAOYSA-N 512.658 4.687 10 10 KJCE CCCn1c(C(=O)NCc2ccccc2Cl)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873572800 MSOLEQDMCFDZEI-UHFFFAOYSA-N 519.049 4.760 10 10 KJCE CN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 2295982109 DRSHDZFZCGQGHF-UHFFFAOYSA-N 519.342 4.566 10 10 KJCE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)CC2)cc1 2296544546 ZMOQBTWFHDBFAH-NRFANRHFSA-N 583.739 4.992 10 10 KJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 2297347846 VZHBMBGPGABPPD-UHFFFAOYSA-N 526.343 4.606 10 10 KJCE C[C@@H]1CCCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)C1 2314414100 PPFODIQDDVQLLX-MRXNPFEDSA-N 511.072 4.986 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)c(C)c1 2314829296 WSBBJXZIMOSJPG-UHFFFAOYSA-N 500.989 4.547 10 10 KJCE COc1cc(/C=C2\N=C(S[C@H]3C(=O)N(c4ccccc4)N=C3C)N(c3ccccc3)C2=O)cc(OC)c1OC 17836897 CHYQGZWGIHYDAY-ZQMPRBCBSA-N 542.617 4.981 10 10 KJCE COc1cc([N+](=O)[O-])c(Cl)cc1N/C=C1/C(=O)N(c2ccc(I)cc2)N=C1C 101125071 FHLSWOMIBJIUSO-UKTHLTGXSA-N 512.691 4.580 10 10 KJCE COCCNc1cc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 101433131 SBRGIZAFEYEWHU-UHFFFAOYSA-N 533.028 4.952 10 10 KJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 150426385 UOGQAIVWSUFVAZ-LBKCIFGTSA-N 663.612 4.981 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 214758140 PJPZBPRZUWDLNN-XSFVSMFZSA-N 531.612 4.718 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(C(F)(F)F)c1)[C@H]2c1ccc(O)c(O)c1 1864016196 JMKODCSECUXCCW-NRFANRHFSA-N 536.510 4.528 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018942 FEXXRNQLUPXVIK-JOCHJYFZSA-N 537.041 4.631 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865026043 INBNZNTXIIYCIN-SANMLTNESA-N 543.023 4.978 10 10 KJCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865027839 MEEIVIZIUGDZHJ-MHZLTWQESA-N 524.621 4.783 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@@H]3c3ccccc3C)CC2)cc1 1865651997 PJMKCRSWELLJRD-LJAQVGFWSA-N 549.675 4.600 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867431459 WUMMYNUSMRZVPH-WECIHKQLSA-N 623.798 4.833 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867840558 OONIKYMCPSENBE-URLMMPGGSA-N 516.661 4.576 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@@H]4c4ccc(OC)c(OC)c4)nc(C(C)(C)C)n3)CC2)cc1 1869194260 GCNCZWBUIFSKOE-AOYPEHQESA-N 561.727 4.829 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NC4CCCCC4)nc(-c4ccccc4)n3)CC2)cc1 1869195545 IZVUQIYKTAQORP-NDEPHWFRSA-N 540.712 4.897 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970669 NTBLJYWKGZYJJC-UHFFFAOYSA-N 527.069 4.818 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873165146 DMSOCECBWRMQGE-UHFFFAOYSA-N 549.712 4.947 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873167300 AFDBCCCNSJPRSX-UHFFFAOYSA-N 536.680 4.716 10 10 KJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2296154553 JUFMDUXDHCPEGL-UHFFFAOYSA-N 545.577 4.875 10 10 KJCE Cc1ccc2nc(NC[C@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 2314413870 JSAKWVGYIONIRE-QGZVFWFLSA-N 527.071 4.649 10 10 KJCE COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 103859862 DCXQOLXAUHKPER-XGICHPGQSA-N 559.008 4.649 10 10 KJCE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110525219 JKTGHKWDBONUII-XHPQRKPJSA-N 607.802 4.607 10 10 KJCE O=C(CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210748929 SVQRXMGNIBYXBR-XMHGGMMESA-N 500.558 4.903 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1 213146559 QCYQZHHWLVWTHZ-CYVLTUHYSA-N 509.609 4.641 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864011395 HETJWFHEPKMUKI-HHHXNRCGSA-N 524.621 4.587 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864018498 MEBJAQAJAJSUGF-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)OCc1ccccc1 1865996062 KVWZDDTZGCNCLR-SANMLTNESA-N 504.542 4.938 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869283036 YFTRHOFSVZFCGW-MHZLTWQESA-N 526.616 4.591 10 10 KJCE CCCCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870771901 WXCGKTFWUJQGQP-UHFFFAOYSA-N 505.659 4.745 10 10 KJCE CCOCCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422961 YKAAIQRXPXSDLW-UHFFFAOYSA-N 500.599 4.671 10 10 KJCE CCCC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CCCOC)C2=O)cc1)C(Cl)(Cl)Cl 2296725455 UFELZIAMOSAEKU-SFHVURJKSA-N 525.907 4.916 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C(C)=Cc3ccccc3Cl)CC2)cc1 2330100392 POMHIUBKCVHVGU-MUUNZHRXSA-N 534.056 4.534 10 10 KJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 100844370 PHOQWAQNDFYGGE-UQQQWYQISA-N 586.695 4.916 10 10 KJCE COc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)c(Br)cc1OCc1ccc(Cl)cc1 103629178 WWWTWTCDLRPTDD-IDUWFGFVSA-N 528.833 4.976 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)CNc3nnc(C(F)(F)F)s3)c2C(=O)OC)cc1 821216700 AGUXSQDTGLBRHH-UHFFFAOYSA-N 585.630 4.678 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864010128 IFOQZOLNXAMATA-QYBDOPJKSA-N 540.620 4.817 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864011470 UWCXOLZTTVBVGO-QFIPXVFZSA-N 509.006 4.643 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013432 WVZUAKBGGBABMC-VWLOTQADSA-N 544.677 4.719 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864013592 DHIFICYKMOUSPO-AREMUKBSSA-N 542.636 4.627 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccs1)[C@@H]2c1ccc(O)c(O)c1 1864015496 ANUZNAILEPDCNT-JOCHJYFZSA-N 516.623 4.690 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864016116 HUHFZTQNYIRMSZ-OSPHWJPCSA-N 510.594 4.633 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865032484 DALJALZSPZOQDR-JOCHJYFZSA-N 511.022 4.843 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865034462 WZFLSZLIABWFCJ-RUZDIDTESA-N 540.620 4.733 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccccc1Cl 1865168141 SMMDKKUXBFCDMZ-XMMPIXPASA-N 536.076 4.561 10 10 KJCE CSCC[C@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867216435 LXEVITVRKNOQQN-SANMLTNESA-N 579.678 4.720 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3Cc3ccc(O)cc3)CC2)cc1 1870483764 HMCKUIGLDQGQMH-UHFFFAOYSA-N 517.670 4.892 10 10 KJCE CC(C)N1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 2053525498 BPOLDPGKZBJASD-UHFFFAOYSA-N 504.681 4.763 10 10 KJCE N=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297468613 RYRNXLRBJABLSV-UHFFFAOYSA-N 522.030 4.941 10 10 KJCE CCOc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)cc(Br)c1OCC(=O)OC 2297577731 VVVYCRJPQYIYGY-UHFFFAOYSA-N 508.415 4.805 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 2313559862 ZJWKHNDJAJPGSF-UHFFFAOYSA-N 522.311 4.603 10 10 KJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)c1 2314817688 QDGDQLPPDCSBQZ-UHFFFAOYSA-N 506.653 4.903 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 101061669 WWWMHRQBZPCXIM-LPYMAVHISA-N 529.599 4.925 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OCC(=O)NC1CCCCC1 101575576 OPQMPXRSZZIZKI-MTJSOVHGSA-N 570.440 4.790 10 10 KJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCSc1ccc(Cl)cc1 103919518 UEARSTLZQTUFMM-KGENOOAVSA-N 501.033 4.871 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CSCC[C@]1(C(=O)O)N[C@H](c2cccc(C(F)(F)F)c2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247520981 LKCFDBAPIKFCCP-FXIKWKPTSA-N 622.621 4.503 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3ccc(C)c(C)c3)CC2)cc1 1862296468 JIJRWQGUZHXVIT-NDEPHWFRSA-N 517.695 4.693 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864011982 OJDWOFULNSVVRQ-CCQPRUGESA-N 523.033 4.694 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864015882 FQHSEFRKXAMDQI-BXKMTCNYSA-N 528.584 4.758 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1864022648 PQSPRDRMJFQALI-IBGZPJMESA-N 546.546 4.521 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865030564 MBWFDHSDMAAZOQ-DEOSSOPVSA-N 502.615 4.577 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030942 VSCIUYMZZLEJBW-BXKMTCNYSA-N 520.605 4.530 10 10 KJCE CSCC[C@@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866869545 NMFZZMCGMWTCQT-HSZRJFAPSA-N 554.672 4.798 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C(C)C)nc(Cc4ccccc4)n3)CC2)cc1 1869087288 ZLDOHEBGEUXXQI-HKBQPEDESA-N 523.685 4.886 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(Cl)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873162411 UGCVHOLXMDVGAB-VWLOTQADSA-N 504.030 4.839 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(NCCc3ccccc3)nc12 2314413776 HMNCHCJSJWUECM-UHFFFAOYSA-N 502.621 4.652 10 10 KJCE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccc(Cl)cc1 40940292 QDZOXILGWXVQQS-MRCUWXFGSA-N 506.008 4.803 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 109951358 PMQCJLJSVLYBRD-BWAHOGKJSA-N 571.703 4.870 10 10 KJCE CN(C)c1ccc([C@@H]2C(c3ccc(Cl)cc3Cl)=C(O)C(=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 526314928 UIVUEBAMRFMWGR-JOCHJYFZSA-N 518.422 4.764 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 1083972588 HMZRQDMYOAOFCD-AREMUKBSSA-N 550.055 4.998 10 10 KJCE CCOc1ccc(/C=C/C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860601475 GAKQAZVECZRKNJ-NTEUORMPSA-N 508.574 4.751 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864006995 CJNYJGIHYUWCPX-OAQYLSRUSA-N 517.413 4.756 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@H]2c2ccc(O)c(O)c2)cc1 1864010242 QGXYSMDTBMWJJR-CBZJRKILSA-N 542.611 4.925 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013141 QVZGOVWDOHWEEZ-QHCPKHFHSA-N 525.049 4.805 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864014521 XFIDBNQNPVOVFJ-XMMPIXPASA-N 504.631 4.531 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865029145 HFTFNZVHLJYIGZ-SANMLTNESA-N 524.621 4.648 10 10 KJCE Cc1cc2cc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc2nc1O 1866914952 CJPUMQFWYJMRKP-LJAQVGFWSA-N 569.617 4.933 10 10 KJCE CC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866944413 PGKVMDVXRRSSRA-VFNWGFHPSA-N 519.395 4.862 10 10 KJCE Cc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867327355 VEMRSNKBCNYWFC-KYJUHHDHSA-N 530.688 4.885 10 10 KJCE CC[C@@H](C)OC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421143 IUOOZMAMEZMJJW-JOCHJYFZSA-N 528.653 4.803 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3C(F)(F)F)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426171 UYIVOBYARRGOTF-UHFFFAOYSA-N 538.570 4.637 10 10 KJCE COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(/N=[N+](\[O-])c4ccc(N5CCc6c(C(N)=O)nn(-c7ccc(OC)cc7)c6C5=O)cc4)cc2)CC3)cc1 1887529283 KKCYAFCJFDFTRF-BRGRJDHNSA-N 766.775 4.605 10 10 KJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C=C2SC(=S)N(CCCOC)C2=O)CC1 2314648296 UEBNDCQWAPELMG-UHFFFAOYSA-N 513.685 4.560 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccc(SC)cc3)CC2)cc1 4766885 YTCFANPDNIXXOY-FQLXRVMXSA-N 561.704 4.694 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778116 MPCVPYGSPMQUES-ONUIUJJFSA-N 519.667 4.639 10 10 KJCE CN(C)c1ccc(CN2CCC(N(c3ccc4c(c3)OCO4)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 34683828 OACUQEZMJOXNIN-UHFFFAOYSA-N 528.074 4.995 10 10 KJCE CCCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100851617 OYDQXHWLHAGBKH-RELWKKBWSA-N 574.732 4.890 10 10 KJCE N=C1/C(=C\c2ccc(OCc3ccccc3[N+](=O)[O-])c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 102561675 IISLVVDVMMINHG-NIHKYSPPSA-N 518.942 4.890 10 10 KJCE Cc1cc(N2C(=O)NC(=O)/C(=C\c3cc(Br)ccc3OC(C)C)C2=O)ccc1Br 103813603 OEQLFAAWXLEFHF-MHWRWJLKSA-N 522.193 4.974 10 10 KJCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Cl)c2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254742528 HAUJUVBFYZLDEQ-SANMLTNESA-N 529.065 4.593 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)ccc3C(=O)OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526601012 HJEGHIIKYGZKQM-SANMLTNESA-N 530.577 4.782 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 1084343176 NZQRASWQBFDJQW-PDGQHHTCSA-N 555.381 4.697 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012895 LSHCNFXHZAEIMT-VWLOTQADSA-N 546.574 4.584 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864014065 MMLDNIWKRVIYHD-XMMPIXPASA-N 517.630 4.555 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864017950 ZBDYPNOHSQKISJ-DEOSSOPVSA-N 547.011 4.519 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034956 IEODNWPKWMIBKS-HSZRJFAPSA-N 523.033 4.656 10 10 KJCE CCCC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665737 JEWHCFXBHCOYBB-OQKWZONESA-N 528.447 4.755 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867779306 DVIAMZZCYFUEFG-BZKUTMRRSA-N 628.774 4.651 10 10 KJCE CCCC[C@@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868639343 KNWFHTKUGLZXSA-AREMUKBSSA-N 518.658 4.533 10 10 KJCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccc3)C2=O)CC1 1873162094 GFFFDAUMJKOJHK-UHFFFAOYSA-N 526.637 4.585 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873168278 PGTVNVMGEXVBAO-UHFFFAOYSA-N 562.718 4.715 10 10 KJCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(Cl)cc3)ncnc21 1875222729 HQCQMTNVVMUOBL-UHFFFAOYSA-N 549.075 4.704 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)c(OC)c1 2296712237 MLHGGBMKFMUBEV-UHFFFAOYSA-N 619.721 4.520 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)C(=Cc4ccc(C)cc4)Sc4ccccc43)CC2)cc1 2297417008 JERFNTOCQKGWOG-UHFFFAOYSA-N 556.732 4.812 10 10 KJCE Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2Br)c1 2313556399 YTYLJMZEPFHLKP-UHFFFAOYSA-N 535.350 4.732 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 2313559001 OUYZLOJICYDJLX-UHFFFAOYSA-N 513.294 4.973 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(NC4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33804025 OYDLWBXMAMHQIK-FYJGNVAPSA-N 506.653 4.767 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101283065 SMJGLIKWTCLQBS-FPJJECCMSA-N 567.129 4.595 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 102411279 YCDKXZSFZNIIAZ-OEHIBVRZSA-N 548.543 4.741 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C/c4ccccc4F)Sc4ccccc43)CC2)cc1 102766220 MZIPXZTYFXIOMK-ANYBSYGZSA-N 560.695 4.643 10 10 KJCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 137696889 JLXNVTSLWBMDFC-MQLUCGEPSA-N 602.786 4.734 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296224 UUDIWDMUSWNJQR-AZZGIHETSA-N 576.737 4.739 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009554 AORWYOMDLDSANQ-HSZRJFAPSA-N 541.048 4.515 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013166 RJPQDKUOFYBDIE-AREMUKBSSA-N 542.611 4.754 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019725 PUDXRSYLQZXKGH-SANMLTNESA-N 524.621 4.533 10 10 KJCE CCOC(=O)c1c(NC(=O)C(C)(C)N2C(=O)c3cccnc3C2=O)sc(C)c1-c1ccc(Cl)cc1 1866240903 DFWPXDPQYZCDCT-UHFFFAOYSA-N 511.987 4.962 10 10 KJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCN(c5ccccc5)C(=O)C4)nc(-c4cccnc4)n3)cccc21 1868563692 FYBPBLSXSGGXFL-UHFFFAOYSA-N 552.594 4.911 10 10 KJCE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)Nc4ccccc4)c4ccccc43)SC2=S)cc1OC 2296539108 BZZPPTVXUAUNBA-UHFFFAOYSA-N 559.669 4.503 10 10 KJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 39990377 SFHJCUKGSCBXGU-HAHDFKILSA-N 522.696 4.839 10 10 KJCE CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(OCC(=O)NC4CCCCC4)c(OCC)c3)C2=O)cc1 96577303 ZOYZYXDFOLWBBM-UQQQWYQISA-N 533.625 4.896 10 10 KJCE Cc1ccc2nc(NC[C@@H](O)c3ccccc3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 101012909 JVBQVOHWRSZIBH-IGPUNGKJSA-N 546.649 4.689 10 10 KJCE COc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 150396085 RFTTWMLFWQRZMO-GDLZYMKVSA-N 652.217 4.909 10 10 KJCE Nc1cc(OCCCc2ccccc2)c(N)c2c1C(=O)c1c(N)cc(OCCCc3ccccc3)c(N)c1C2=O 206678714 PZPRXGNBWCUNFZ-UHFFFAOYSA-N 536.632 4.814 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 1084216826 RIIJDYRZRYEUHE-YVLHZVERSA-N 585.407 4.705 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864010858 PRUYDAHKEQTAGT-DEOSSOPVSA-N 502.615 4.688 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC2=CCCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1864011296 GAXQWGKYYNFTOL-HHHXNRCGSA-N 528.653 4.969 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864017934 YUSRGNXQFPISRB-DEOSSOPVSA-N 547.011 4.519 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019741 PYTUSHWOZHIORX-QHCPKHFHSA-N 516.985 4.510 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865026766 RPPJOZJEQKJOID-FENDNCTDSA-N 541.023 4.643 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867787124 BJUCWMGURXVADG-MVSFAKPFSA-N 604.727 4.550 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867877334 PPSHJPIUXDNRMF-XNMGPUDCSA-N 523.678 4.601 10 10 KJCE CCCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868912715 DKHWECQYLKWEGK-MUUNZHRXSA-N 532.685 4.639 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4cn(C)c5ccccc45)nc(-c4ccccc4)n3)CC2)cc1 1869211035 BSYQZZIWNWXPQV-JGCGQSQUSA-N 573.701 4.648 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)CC2)cc1 1874736136 AWGVXTMMBKUXNV-UHFFFAOYSA-N 503.555 4.526 10 10 KJCE Cc1c(N2C(=O)C(=Cc3c(Oc4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2296717893 GDLITTSQPOERRY-UHFFFAOYSA-N 567.652 4.690 10 10 KJCE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1Br 2313560707 DCXQOLXAUHKPER-UHFFFAOYSA-N 559.008 4.649 10 10 KJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 100345230 OWIWRSQZDIWEHT-BKUYFWCQSA-N 537.366 4.712 10 10 KJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 101969580 CBKHKSAKHMGCHR-SDXDJHTJSA-N 527.506 4.972 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 102577075 BMLCZYDTOPEFPX-PTGBLXJZSA-N 533.723 4.721 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019670 OPZSMVWVUYAXDP-JOCHJYFZSA-N 511.022 4.890 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2O1 1865031260 CUJOLXRVIVENHW-DEOSSOPVSA-N 543.023 4.980 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)cc2O)sc(C)c1-c1ccc(C)c(C)c1 1866269778 BNJOCAZWHBWJTN-UHFFFAOYSA-N 519.579 4.639 10 10 KJCE CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867537911 NTFXGOKDHOJXDD-XZWHSSHBSA-N 528.697 4.966 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(F)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867840377 NGMIRBXBDZSPTC-FIRIVFDPSA-N 574.697 4.502 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCc3ccccc3F)CC2)cc1 1868600430 WJQGEWJNUUTOHE-MUUNZHRXSA-N 535.685 4.534 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)/C(C)=C/c3ccccc3)CC2)cc1 1868748239 IPWCXNMUBOWPDJ-AHSZPGLMSA-N 529.706 4.866 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)CCCc3cccc(Cl)c3)CC2)cc1 1868956607 KBLKSCBCGCUMDK-SSEXGKCCSA-N 578.109 4.673 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(c5ncncn5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869243085 OIHANQVCQOTWDA-UHFFFAOYSA-N 543.075 4.701 10 10 KJCE COc1ccc(CCN2C(=O)C(Nc3ccccc3S(C)(=O)=O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873418231 YBXHXIAFWUWGGT-UHFFFAOYSA-N 569.683 4.941 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3C(C)(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425584 GUGBATTUZNBCSP-UHFFFAOYSA-N 526.681 4.916 10 10 KJCE CC[C@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314400440 MGBJSJAASKATPM-IBGZPJMESA-N 548.690 4.902 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526388025 HEQVHKWVRUSGHA-GDLZYMKVSA-N 528.653 4.579 10 10 KJCE CCn1c(C)c(CN2CCC3(CCCCNC(=O)c4ccccc4OCCNC3=O)CC2)c2ccccc21 643588304 DZOXCNPFXXFAJY-UHFFFAOYSA-N 516.686 4.661 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(OCC)c(OCC)cc3Br)C2=O)c1 1084442237 GOSYTGDPHOKJSA-BOPFTXTBSA-N 547.402 4.710 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864010379 LTQBPJQNOHDFLG-XMMPIXPASA-N 531.012 4.900 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029065 FJJQKYIUWXZAPJ-KOSHJBKYSA-N 502.615 4.640 10 10 KJCE Cc1nc(C)c(CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)s1 1866572317 VAQHLZGUNVQTGB-XMMPIXPASA-N 541.604 4.583 10 10 KJCE CCCC[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866612234 QUGFXQVEBPWSOA-VWLOTQADSA-N 523.589 4.516 10 10 KJCE COc1ccc([C@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1 1867004096 MIPFSSDTNNTZCL-HFJWLAOPSA-N 510.590 4.888 10 10 KJCE Cc1ccc(CC(=O)N[C@@H](CSCc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)o1 1867257031 KADYNRPHISGSPY-SANMLTNESA-N 538.625 4.963 10 10 KJCE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@H](CCSC)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867458306 PFOKHRJUXXVDGK-SAIUNTKASA-N 671.864 4.752 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867473452 QLJXOHCBAIOIQY-BCRBLDSWSA-N 716.839 4.554 10 10 KJCE COCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)C[C@@H]1C 1868564681 QVXZXCPITSQIDP-SFTDATJTSA-N 548.647 4.603 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccccc1 33516857 GGSJVNWZDTXSFE-JDEOPTGGSA-N 503.971 4.990 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCC[C@@H]3C)nc12 33781664 NVHGSGLYTOTPOX-XESZTULISA-N 508.644 4.922 10 10 KJCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110524001 TXMFJXCPCBXKBQ-ULJHMMPZSA-N 588.759 4.632 10 10 KJCE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCOC)C2=O)c1 110557553 PPZLZXAPKHQRJJ-HKOYGPOVSA-N 570.762 4.808 10 10 KJCE COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 254571610 DROJTSIABUKDOY-MUUNZHRXSA-N 541.673 4.603 10 10 KJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(Cl)cc(OC)c2OC)[C@@H]1c1ccc(O)c(O)c1 526481996 RULWSIWTNWOQIG-QFIPXVFZSA-N 511.914 4.612 10 10 KJCE CC(C)OCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014249 QJTGTQCQIQJQOW-VWLOTQADSA-N 540.620 4.576 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864016983 BGKIIBHXLMKCLW-OAQYLSRUSA-N 541.391 4.757 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019562 MDQHICCXAXGRPK-AREMUKBSSA-N 542.611 4.672 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864020464 ZNIGRISOWKBETI-JOCHJYFZSA-N 537.041 4.614 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865017505 LEQREXIMNDQBKV-SANMLTNESA-N 529.685 4.544 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866934684 GNWGHIDTWXMNDA-QVKOCQLISA-N 590.607 4.996 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NC4CCCCC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869306223 LCRDFCHYQZDUGF-LJAQVGFWSA-N 570.738 4.905 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 2296710696 RUKZEXGTQSONMP-FQEVSTJZSA-N 507.637 4.937 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314768219 JYBRJIIOSANHFQ-DEOSSOPVSA-N 540.663 4.504 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110532163 JDEJXAVSVGAOJJ-UBSTUSJCSA-N 566.749 4.852 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 1084049870 ILFQLGSOKYIFCS-BOPFTXTBSA-N 555.381 4.697 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1 1084335226 WNRHLZFNEWXYBY-CVKSISIWSA-N 556.619 4.566 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 1772721491 UOWXWWGQTBSFBO-QWQBBLJPSA-N 504.681 4.949 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccncc3)C2)sc(C)c1-c1ccc(F)cc1 1860666239 WVYGFIJPHVTLFW-HXUWFJFHSA-N 509.603 4.854 10 10 KJCE NC1=C(C(=O)NC2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1864014677 ABZPDQMLHZYQJE-HXUWFJFHSA-N 546.521 4.644 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028431 UQSONEKSRKKJJY-QFIPXVFZSA-N 541.446 4.698 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970259 GZZPRDIFWSFFCQ-UHFFFAOYSA-N 524.959 4.786 10 10 KJCE C[C@@H](O)Cn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870940790 PIQVDGJZHBZIOY-JOCHJYFZSA-N 518.658 4.755 10 10 KJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)Nc4ccc5c(c4)OCCO5)c4ccccc34)[C@H]21 1873919784 UJIXVAQPSFGYNC-LJAQVGFWSA-N 508.578 4.588 10 10 KJCE CC(C)(C(=O)O)[C@@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951871526 JGIOTTZKMMSQLT-INIZCTEOSA-N 501.171 4.996 10 10 KJCE Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c1 2314506528 FMIDEFCFKLCPGU-SFHVURJKSA-N 507.637 4.792 10 10 KJCE O=C(O)CCCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 15034419 CNXHFAJESDYCMQ-WQRHYEAKSA-N 508.980 4.563 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(C)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 20175499 PQYZJQUZCLKRGS-NVMNQCDNSA-N 508.415 4.956 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 102993925 OIUDVZXVYMCMAT-XIEYBQDHSA-N 554.697 4.710 10 10 KJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2cc(OC)c(OC)c(OC)c2)cc1 205965252 PTJFUOIGEGQUST-LFVJCYFKSA-N 518.526 4.766 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(SCc4ccccc4F)s3)C2=O)cc1 209420178 SCZLYYRPSDWYDN-LICLKQGHSA-N 532.669 4.818 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(C(=O)OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526470378 XXPWZNXTEBTNJA-VWLOTQADSA-N 505.523 4.739 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC24CC5CC(CC(C5)C2)C4)[C@@H]3c2ccc(O)c(O)c2)cc1 1864011502 IPTLLCGFYZDNRH-BWYYRKJZSA-N 540.664 4.739 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864022047 JLYACRDTNOVZEQ-UZLBHIALSA-N 545.562 4.867 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030824 RUCISYKNHTVYIO-BXKMTCNYSA-N 537.060 4.902 10 10 KJCE O=C(CCc1ncc2ccccn12)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866897190 QHTLPRUDWDQVAN-LJAQVGFWSA-N 528.568 4.539 10 10 KJCE CCCCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166334 MAJHEZFXGBGBKY-UHFFFAOYSA-N 501.627 4.824 10 10 KJCE CCN(CC)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425546 DVJUWIXAWVBBQM-UHFFFAOYSA-N 555.723 4.855 10 10 KJCE COc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 2293520657 AIGJAAXWWUMTCG-UHFFFAOYSA-N 581.419 4.899 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)O[C@H](C)C3)nc12 2296754950 VUBYFKBTSGCYHA-OTWHNJEPSA-N 520.680 4.579 10 10 KJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)C1=Cc1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 2313624468 URKADCSJCFRPNN-UHFFFAOYSA-N 588.414 4.874 10 10 KJCE Cc1c(N2C(=O)C(=Cc3c(Oc4ccccc4F)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 2314508284 OJVZFMGRUBZMJP-UHFFFAOYSA-N 585.642 4.830 10 10 KJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S 2314831081 CBKHKSAKHMGCHR-UHFFFAOYSA-N 527.506 4.972 10 10 KJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105174 FMGFYJKIAJNIEG-UHFFFAOYSA-N 554.363 4.517 10 10 KJCE CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2F)c(OS(C)(=O)=O)c1 37422955 XAHZZBQDHKNPDN-UHFFFAOYSA-N 502.583 4.992 10 10 KJCE Cc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066548 CKGBCCOBIYZRTE-HAHDFKILSA-N 500.649 4.621 10 10 KJCE O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)s1)Nc1cccc(C(F)(F)F)c1 102371637 MQJYOJHXPXPTNY-NXVVXOECSA-N 562.580 4.692 10 10 KJCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2Cl)c1 102479453 BDRMDBYZDKDPBG-UNJPEWJUSA-N 522.030 4.859 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(C)cc1 254708397 FGIOMUODEIQLOJ-HHHXNRCGSA-N 511.647 4.514 10 10 KJCE CCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1084371886 MBCXWTCHZIGZCK-DHDCSXOGSA-N 616.193 4.578 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864010031 NMARSZDWIPIWCH-QFIPXVFZSA-N 541.004 4.516 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865025908 FFLSDFZNJPQFDM-JRLRZGBRSA-N 523.033 4.504 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029248 JDIHTMWOCYTXPB-QUGAMOGWSA-N 510.594 4.698 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3ccc(C)cc3)CC2)cc1 1865182957 VDNXTSPWGVSWLU-LJAQVGFWSA-N 549.675 4.850 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868275917 YMNJIBRIFBQXJN-VWLOTQADSA-N 531.616 4.843 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)n1 1869108476 BKILOOXHKABIHZ-RUZDIDTESA-N 522.093 4.866 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869259332 DIVBTFGDOCNVCC-GDLZYMKVSA-N 573.072 4.949 10 10 KJCE CC(C)Cn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870990012 YMURGKMVOUEDOZ-MHZLTWQESA-N 518.658 4.876 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873165289 GIXUZMWHIMCPNS-UHFFFAOYSA-N 501.627 4.658 10 10 KJCE CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CCCC 1875212997 JZKCUXWRKQRAGG-UHFFFAOYSA-N 522.694 4.821 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 2313683740 ZAEIIKRUXMXMMP-UHFFFAOYSA-N 546.536 4.544 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12 2314399795 DOPIWLIWSZOKKD-IAGOWNOFSA-N 541.098 4.671 10 10 KJCE CCCN(CCC)C(=O)COc1ccc(C=C2C(=O)N(c3ccccn3)N=C2c2ccccc2)cc1OC 2332139266 MSFNCKRYQWJLTF-UHFFFAOYSA-N 512.610 4.952 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl 35962100 PTRQNIDVRMHFDD-XMMPIXPASA-N 513.425 4.798 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(SCc4ccccc4C)s3)C2=O)cc1 101195801 WVBPCZYGFYORCB-WQRHYEAKSA-N 528.706 4.987 10 10 KJCE O=C(CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1ccc(C(=O)O)cc1 101966510 XOVXNKJKMWBFTB-NVNXTCNLSA-N 586.283 4.845 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 205611319 GEETZZFDRHBKEB-DIVQNALZSA-N 527.687 4.691 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc4nc(C(C)C)[nH]c4c3)c3ccccc3)CC2)cc1 1862101468 NMUHKAFBRSPCCE-HHHXNRCGSA-N 511.626 4.515 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018331 IRHNNENVGPKWJN-XMMPIXPASA-N 549.002 4.709 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865023059 PKHUGPKXIHEYIJ-NDEPHWFRSA-N 549.675 4.795 10 10 KJCE Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867328004 HVGRAZWNQHRLOM-XZWHSSHBSA-N 512.698 4.746 10 10 KJCE CN(C)c1ccc(CN(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 2314430333 OIAYZJWACJTIIA-GDLZYMKVSA-N 558.679 4.974 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1OCc1ccccc1 59103768 YHOMASGMDGUAGG-UNOMPAQXSA-N 560.388 4.673 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 100320366 AREHOAVUPQNNPM-JAIQZWGSSA-N 586.357 4.993 10 10 KJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 100885048 IHHHHRKMBSDINY-OQKWZONESA-N 538.695 4.758 10 10 KJCE Cc1ccc2nc(N3CCc4ccccc4C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 101011818 WOGUJSLCXPTOPP-YZSQISJMSA-N 620.760 4.769 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 102994668 MNBVNDSWZISDPB-ODAUKNCYSA-N 520.680 4.682 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864012303 XDWPLXCJNLWUML-IVCQMTBJSA-N 531.012 4.876 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(F)c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867840379 NGMIRBXBDZSPTC-JSOSNVBQSA-N 574.697 4.502 10 10 KJCE CCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873419564 KQEHHWLCNOHTET-HSZRJFAPSA-N 513.594 4.642 10 10 KJCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 2296056449 KXOGREBYHKYSPM-UHFFFAOYSA-N 510.623 4.879 10 10 KJCE COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2296563738 KRENNCUIIWWHHP-UHFFFAOYSA-N 548.109 4.905 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(Br)cc4)c(OC)c3)C2=O)cc1 2297301755 OWIWRSQZDIWEHT-UHFFFAOYSA-N 537.366 4.712 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(Br)c1OCC 2297322030 BULBXBHXZOJSTP-UHFFFAOYSA-N 509.809 4.731 10 10 KJCE O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2314603341 LKWPNBOPJHZVMT-QGZVFWFLSA-N 587.547 4.940 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 109951306 PHRQRIZMGLTNQV-BWAHOGKJSA-N 587.702 4.570 10 10 KJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCCc2ccc(OC)c(OC)c2)SC1=S 143297333 UGYOGBZZROAQGR-HAHDFKILSA-N 540.711 4.721 10 10 KJCE CN1CCN(Cc2ccc(N3C(=O)C(O)=C(c4ccc(Cl)cc4)[C@@H]3c3ccc(O)c(O)c3)cc2)CC1 526603517 MYFYSJMWYNBEMN-SANMLTNESA-N 506.002 4.556 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029232 IYTGWHLHAZFDPM-HSZRJFAPSA-N 523.033 4.987 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030610 NCZGASFFTXRCAE-OSPHWJPCSA-N 537.060 4.902 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2C[C@@H](C)C[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031198 BIRUIQILSBZSJV-MRUHUIDDSA-N 542.558 4.810 10 10 KJCE COc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1OC 1867307448 IDKRLXSVUZIRDN-FIBWVYCGSA-N 544.696 4.584 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1867324013 OAAFNLQKKMLZCC-HSZRJFAPSA-N 505.490 4.911 10 10 KJCE COc1ccc(/C=C/C(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccc(C)cc2)cc1 1869970057 MPVLSWGHXABTCR-CAOOACKPSA-N 524.625 4.571 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1873165504 LPRQPKRQGHEXGE-UHFFFAOYSA-N 524.587 4.934 10 10 KJCE COCCCN1C(=O)C(Nc2cccc(C(=O)OC(C)C)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420409 NPBOXRXASFVSPH-UHFFFAOYSA-N 515.610 4.888 10 10 KJCE [N-]=[N+]=NCCCCCCOCCCCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2080389419 XTRFVWPKELKMMN-XMMPIXPASA-N 598.701 4.661 10 10 KJCE N=C1C(=Cc2ccc(OS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)C(=O)N=C2SC=C(c3ccccc3)N12 2296394061 NPVFPCMFSRJMFE-UHFFFAOYSA-N 532.559 4.667 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2297461200 ZHGCSFMMFWZBSC-UHFFFAOYSA-N 534.707 4.692 10 10 KJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2313559655 JRCHLVUSBGNDMC-UHFFFAOYSA-N 536.382 4.700 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1OC 2323679848 FYHWAYWWQNCKMQ-QGZVFWFLSA-N 502.570 4.809 10 10 KJCE COc1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(OCCOc4ccc(C)cc4)c(OC)c3)C2=O)cc1 33409652 WRRRMQRZFSUVII-XQNSMLJCSA-N 502.523 4.977 10 10 KJCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3cc(C)c(Cl)cc3Cl)c3ccco3)CC2)cc1 38637530 SZSYOWLHCVSJRI-QFIPXVFZSA-N 524.470 4.745 10 10 KJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C 101430898 KZEWJQZFAWLSKS-BVZJYVBKSA-N 526.387 4.983 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 109967002 QFEQLRDXQOBOTI-XHPQRKPJSA-N 585.730 4.913 10 10 KJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 213176570 SWWAHWBASYYCSW-XKZIYDEJSA-N 529.599 4.925 10 10 KJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(CC)CC)cc2)c1 526311925 BBNJWWZQLCXJCF-AREMUKBSSA-N 521.639 4.636 10 10 KJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526561347 HMJINUUEZRLVGZ-HHHXNRCGSA-N 532.593 4.630 10 10 KJCE O=C(CCCOc1ccccc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860508344 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528.613 4.850 10 10 KJCE O=C(CN1C(=O)SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O)Nc1ccc2c(c1)OCO2 2297461049 LVUBDEYPLUFPNL-UHFFFAOYSA-N 526.910 4.702 10 10 KJCE CCOC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)o2)cc1 2313560979 OAIUUYFGNUDOOD-UHFFFAOYSA-N 509.312 4.552 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 2313561081 SVSUMEDPNQJMJG-UHFFFAOYSA-N 542.773 4.875 10 10 KJCE Cc1ccc2nc(NC3CCCCC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314414107 PVNGVCYDYGZHNJ-UHFFFAOYSA-N 586.743 4.951 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 100880744 LFTVWIAERHPYAP-XQNSMLJCSA-N 549.697 4.612 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3Br)C2=O)ccc1OCc1ccc(C(=O)O)cc1 101688364 REVTYNVFCUADET-XDHOZWIPSA-N 565.376 4.710 10 10 KJCE O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4C(=O)N4CCCC4)cc3s2)c([N+](=O)[O-])c1 164006389 IPTCBFKCGPEWRX-UHFFFAOYSA-N 658.743 4.758 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864018969 FOLOVPISGODICT-ZOUOIUENSA-N 523.033 4.889 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865026854 BQCCGFBZKYPOKA-RUZDIDTESA-N 528.996 4.919 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865027385 XJSWEYSVQKDIPV-QHCPKHFHSA-N 511.022 4.648 10 10 KJCE CN(C)[C@H](C(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1)c1ccccc1 1866703136 NDVVEFFZLXGZSO-NSOVKSMOSA-N 517.585 4.561 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867627780 YJZDNXDKHDXQFM-RQOYOAKWSA-N 715.851 4.729 10 10 KJCE CC(=O)Nc1cccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867642231 HNHRWFYMYBXIFL-IHLOFXLRSA-N 541.696 4.526 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867971144 AEXBBAFSEWRVMK-UHFFFAOYSA-N 564.690 4.530 10 10 KJCE 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CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865030844 SJSDZXVAGHBUJH-GAKIBJFNSA-N 534.632 4.633 10 10 KJCE COc1ccc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1Cl 1867137190 ABYSEXPJKUNFIQ-IGKIAQTJSA-N 583.040 4.762 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(N[C@H]3CCCC[C@H]3C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873170094 NWQCHJWESYOYQI-IBVKSMDESA-N 532.685 4.963 10 10 KJCE O=C(N[C@@H](C(=O)O)c1cc(I)ccc1O)OCC1c2ccccc2-c2ccccc21 1951380920 DTYDUJCLHHOVLC-OAQYLSRUSA-N 515.303 4.661 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccccc1N1CCOCC1 2313556196 QLNYFJUMBZTGTG-UHFFFAOYSA-N 511.622 4.657 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2314414410 YEZGMABWSANBLD-IRXDYDNUSA-N 548.690 4.615 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)C(=Cc4ccccc4C(=O)O)SC3=S)cc2)cc1 2314930084 XHJYTIRQAAWGNS-UHFFFAOYSA-N 504.589 4.818 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(NC4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 33804022 AFHROTQUPPMYFJ-STZFKDTASA-N 506.653 4.767 10 10 KJCE CCOC(=O)[C@H]1CCCN(C(=O)c2cccc(CSc3nc(COC)cc(N4CCN(c5ccc(OC)cc5)CC4)n3)c2)C1 98015293 VNNLZUXMTCYARE-SANMLTNESA-N 619.788 4.666 10 10 KJCE CN1C(=O)/C(=C/c2ccc(OCC(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)SC1=S 101035766 KXVYIIJOJREVTL-BKUYFWCQSA-N 536.704 4.550 10 10 KJCE COc1cc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526398838 ZBOCLXASWYYZPY-QHCPKHFHSA-N 510.930 4.784 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 1084589177 SFZAKBVSAKFGQV-YBEGLDIGSA-N 515.703 4.727 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864011607 WKYHRGRFXUIEPD-SANMLTNESA-N 524.621 4.680 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864012030 PLRDLPOUJWBFPG-AREMUKBSSA-N 516.642 4.883 10 10 KJCE 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CCC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106510 AHADXUVNZMGDMO-UHFFFAOYSA-N 504.414 4.909 10 10 KJCE O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1(O[C@H]2c2cccc(Br)c2)C(=O)c2ccccc2C1=O 104943159 NCNTTWVNAICPFR-HBMCJLEFSA-N 536.765 4.798 10 10 KJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526350405 AYRBAMZPVSMINA-JOCHJYFZSA-N 526.339 4.713 10 10 KJCE Cc1ccc(COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2I)cc1 1083952800 ALEANJLJLDPDAH-NDENLUEZSA-N 556.331 4.984 10 10 KJCE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029479 OFMZSPUCDOLBJN-OAQYLSRUSA-N 541.446 4.562 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869173395 DLRCYPWKFNKXBG-XIFFEERXSA-N 587.728 4.956 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)n1 1869225590 MDWDMBUTQRRVHE-RLWLMLJZSA-N 505.638 4.870 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4C)n(-c4ccccc4Cl)n3)CC2)cc1 1869970115 YGIXAYDGKAECGZ-UHFFFAOYSA-N 503.006 4.817 10 10 KJCE CCc1ccc(Nc2nc(=NCc3cccc(C)c3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871583776 BQHCZCLEYHADMA-UHFFFAOYSA-N 509.658 4.855 10 10 KJCE COc1ccc(CCN2C(=O)C(NC3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873165701 QGDFHNDDOJJKQI-UHFFFAOYSA-N 513.638 4.966 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1 2297464180 YTRHWHSCVNHLAL-UHFFFAOYSA-N 549.697 4.612 10 10 KJCE COc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 2297468290 WOQBTGNPGHFBFI-UHFFFAOYSA-N 517.954 4.630 10 10 KJCE CCN1C(=O)C(=Cc2cn(CCOc3ccccc3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509001 HOWKIZSMAQUVCM-UHFFFAOYSA-N 571.699 4.957 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccccc1F 2313559117 RFSWOWABZJGJGD-UHFFFAOYSA-N 513.294 4.973 10 10 KJCE Cc1ccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(O)c1Br 2327585163 FQIXHIDDLDZUTH-JXFKEZNVSA-N 507.425 4.578 10 10 KJCE COc1cccc(CN2CCC(C(=O)N3CCC(C(O)(c4ccccc4)c4ccccc4)CC3)CC2)c1O 10059454 MGJOZBXWOUTYAP-UHFFFAOYSA-N 514.666 4.788 10 10 KJCE N=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 101405844 JKEDPJYFMDDUQY-DWCAQMBTSA-N 518.580 4.774 10 10 KJCE COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 102849885 QUOQCISKRUOLAJ-HAVVHWLPSA-N 597.678 4.699 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 205611472 ZDQJZVPRCMRNDY-SUOUMBACSA-N 553.750 4.950 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCC)c(Br)c3)C2=O)c1 1084392000 BOYBHJGLEYCMOV-DHDCSXOGSA-N 537.794 4.965 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(OC)cc2OC)sc(C)c1-c1ccc(OCC)cc1 1860748032 IIHNFRUHRSYEPC-UHFFFAOYSA-N 512.584 4.893 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4nc(C(C)C)[nH]c4c3)c3ccccc3)CC2)cc1 1862101469 NMUHKAFBRSPCCE-MHZLTWQESA-N 511.626 4.515 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CC3CCCCC3)CC2)cc1 1862113684 MFYUYVVRHNUKBD-HHHXNRCGSA-N 509.716 4.732 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864013224 TWTJPFQXZSSMNI-JYMRHQFYSA-N 516.642 4.685 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864019453 ZAPCGYFCTXWHND-SANMLTNESA-N 542.611 4.672 10 10 KJCE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865029195 ICNAOGZOILACCO-OAQYLSRUSA-N 529.424 4.860 10 10 KJCE COC(=O)c1c(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccc(Br)cc1 1866111718 DVMABXCCGZZFJS-LJQANCHMSA-N 531.428 4.664 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3cc[nH]c3c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867665693 AUINMDMDMHXTSQ-LQJZCPKCSA-N 595.744 4.844 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4c4nc5c([nH]4)CCCC5)nc(C(C)C)n3)CC2)cc1 1869099331 ATMFFJFJJOWXLL-RUZDIDTESA-N 501.679 4.879 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(Cl)cccc6[C@H]5C4)nc(-c4cccnc4)n3)CC2)cc1 1869374551 JZHQOPMSQCYBAA-GDLZYMKVSA-N 568.125 4.947 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CC3CCCCC3)CC2)cc1 1874643314 WFKDWGTTZWFBJH-MUUNZHRXSA-N 502.659 4.523 10 10 KJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400985 TWKQTXUIMLUBMK-FHWLQOOXSA-N 514.717 4.726 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314476853 WYICBXAGRGCFAI-QHCPKHFHSA-N 542.686 4.858 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c([N+](=O)[O-])cc1OCc1ccccc1 59135809 HRORZQNZUKHHGQ-BOPFTXTBSA-N 507.499 4.993 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)SC2=S)cc1 101966616 NIYQVHOBEIERRT-JLPGSUDCSA-N 547.683 4.870 10 10 KJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 101971145 NFAQVBFZYHOFFC-SJWFJVLYSA-N 535.441 4.560 10 10 KJCE CC(C)(C)OC(=O)N(CCC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1cccnc1 1867086590 VMZXQRVQBUKQEQ-UHFFFAOYSA-N 570.646 4.518 10 10 KJCE 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Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C(=O)NC2=S)cc1 100137583 WVRMOWYCCGNBQY-NDENLUEZSA-N 551.418 4.866 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(I)c1OCc1cccc(C)c1 103566806 XDEXPSPYRPQYTM-PFOSVVTISA-N 546.390 4.826 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)c1 110557736 HEEFBRIZEZWWHE-CJLVFECKSA-N 526.709 4.839 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2cccc(F)c2)c(I)c1 1084052469 FMVJCFSVFIXABK-ODLFYWEKSA-N 560.294 4.815 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864009598 BUKKYGLLIXVZOT-HHHXNRCGSA-N 518.573 4.756 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864020315 ARAIMZJBWFDMOV-QSVKARKKSA-N 520.674 4.682 10 10 KJCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(CC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022990 TWBGNTHOLQLUDF-JLTOFOAXSA-N 530.547 4.858 10 10 KJCE 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CCN(CC)CCCN1C(=O)C(NCc2nc3ccccc3[nH]2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169037 WAISPQAIMSVYBJ-UHFFFAOYSA-N 524.669 4.572 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@@H](O)c5ccc(Cl)cc5)ncnc4n3CC(C)C)CC2)cc1 1875211483 LJEVGZQZPQVVMK-HHHXNRCGSA-N 563.102 4.857 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(F)cc1 2313556546 CSXWJQDUHARGJD-UHFFFAOYSA-N 569.339 4.571 10 10 KJCE CCOc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)c1 59302614 YKQZLOQCESLMRX-NHDPSOOVSA-N 507.930 4.511 10 10 KJCE COc1ccc(C(OC[C@@H]2O[C@@H](n3ccc(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccc(OC)cc2)cc1 102479086 URPYRSNVDWGRAB-UNCTUWKVSA-N 555.591 4.529 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 103610090 IZZBYXJDQICSMY-JJIBRWJFSA-N 558.685 4.768 10 10 KJCE Nc1ccc(OCCOc2c(I)cc(Cl)cc2I)cc1 312800861 QJAQUAXBTPWTSG-UHFFFAOYSA-N 515.516 4.589 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(N(C)C)cc2)ccc1OC 526158275 QKQDYLYWUNCFOS-HHHXNRCGSA-N 502.567 4.988 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864006964 BSWWJHJNEIANOM-AREMUKBSSA-N 540.620 4.780 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864009754 CZFBWGYFMJZZNV-RUZDIDTESA-N 534.657 4.562 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010600 OSRMVVCTGYFOSW-HHHXNRCGSA-N 536.563 4.895 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864016929 ALKKAUDNNZAGQB-VWLOTQADSA-N 532.641 4.778 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864020410 YLJORQVFPHHNGQ-HSZRJFAPSA-N 534.975 4.649 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030401 JCRZDLHDMPCJGC-QFIPXVFZSA-N 511.022 4.512 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865031493 IGWMXZVCAXGEAT-XMMPIXPASA-N 528.584 4.712 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@H](C)c3ccc(Cl)cc3)CC2)cc1 1868679035 PSQFXXYQLRMYJJ-DWACAAAGSA-N 520.073 4.919 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)C4CCCCC4)nc(C(C)(C)C)n3)CC2)cc1 1869175792 PZMLXOHHCWCLKI-VWLOTQADSA-N 520.722 4.527 10 10 KJCE CCCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421255 OBDBZFOFDYOXDY-UHFFFAOYSA-N 500.643 4.945 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4ccc(C)cc4C)cc3)CC2)cc1 1874740499 ZXRIKRXDFZYAGN-UHFFFAOYSA-N 502.611 4.691 10 10 KJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)CC1 2314650430 GNQQNYLGFIVFAD-OAQYLSRUSA-N 525.696 4.703 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)C[C@@H](C)C3)SC2=S)cc1 39989589 CBLLSBUPAZLESV-BGXQBMBVSA-N 506.697 4.758 10 10 KJCE CN(C)c1ccc([C@H]2N(NC(=O)c3ccccc3O)C(=O)[C@@]2(Cl)CNc2ccc(Br)cc2)cc1 95854631 CXUOOWLKKAGEPB-RCZVLFRGSA-N 543.849 4.539 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(C)cc4)s3)C2=O)cc1 101196001 XHQLFTLCBQRXCW-WQRHYEAKSA-N 528.706 4.987 10 10 KJCE COc1ccc2c(c1)N(C)C(=c1sc(=C3C(=O)N(c4ccccc4Cl)N=C3C)n(Cc3ccccc3)c1=O)S2 252668443 FCTSKAUHGFVOGO-UHFFFAOYSA-N 575.115 4.501 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 256025296 XOTWISXSRYQEPN-GKEDPZKTSA-N 624.810 4.717 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256044318 UUDIWDMUSWNJQR-CEJRAAJOSA-N 576.737 4.739 10 10 KJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(Cl)cc(OC)c2OC)[C@H]1c1ccc(O)c(O)c1 526481995 RULWSIWTNWOQIG-JOCHJYFZSA-N 511.914 4.612 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)c(OCC)c1 1084296133 BHURTVKAUFGDGH-GDLZYMKVSA-N 571.699 4.613 10 10 KJCE Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c(C)c1 1860827446 YLEBXHAFYQINBX-LPYMAVHISA-N 507.637 4.963 10 10 KJCE CCC[C@H](NC(=O)CCCOc1cc(C)c(Cl)c(C)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862221951 DGWOONBCSYFUCL-VWLOTQADSA-N 516.082 4.758 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)c1 1864011518 IYUBQVUMOMGMQH-PPHZAIPVSA-N 524.621 4.840 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011592 WBOSFVMVTGBVCH-FQEVSTJZSA-N 517.413 4.764 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864019589 MVYIVXGFNDWPED-SANMLTNESA-N 524.621 4.516 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027430 YDVTYZLEQPDHHT-AREMUKBSSA-N 543.023 4.584 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034798 DTZKZRHZMQQMGX-HSZRJFAPSA-N 523.033 4.656 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)sc(C)c1-c1ccc(C)c(C)c1 1866268472 WYDPIYCPLSYOPN-UHFFFAOYSA-N 507.543 4.770 10 10 KJCE CCC[C@@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866859202 DUKPJNGJPFCIER-JOCHJYFZSA-N 506.562 4.524 10 10 KJCE CC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867713100 NEXVNBDGKFFVKZ-BJKOFHAPSA-N 505.490 4.911 10 10 KJCE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875105 QHVHDMFYCIIJHZ-MFMCTBQISA-N 557.695 4.654 10 10 KJCE CCOC(=O)CN(Cc1ccccc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)C)n1 1867950865 NNDSSHGKWXUMQV-UHFFFAOYSA-N 503.647 4.505 10 10 KJCE COc1ccc([C@@H](CC(=O)NCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccc(F)cc2)cc1OC 1868165312 HSMHSVQVJRQDKZ-VWLOTQADSA-N 566.585 4.895 10 10 KJCE COCCN1[C@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)C)n2)C[C@H]1C 1868228020 JJYWMITUTAVKTA-WOJBJXKFSA-N 513.642 4.664 10 10 KJCE CCCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873425630 JBVFQYOWIGMEQO-UHFFFAOYSA-N 542.680 4.797 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)CC2)cc1 1874744233 YHYXOONUUNUJDR-UHFFFAOYSA-N 503.555 4.526 10 10 KJCE O=C(O)c1cccc(N2N=C(C(F)(F)F)C(=Cc3cc(Br)c(O)c(Br)c3)C2=O)c1 2295172560 BDGKRRGVOMGZHW-UHFFFAOYSA-N 534.082 4.964 10 10 KJCE O=C1C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccco1 2296705101 PVWNQARRUSIUMG-UHFFFAOYSA-N 564.092 4.669 10 10 KJCE COc1ccccc1OCCOc1c(OC)cc(C=C2C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc1OC 2297341070 OUAKPCMZVWXXEU-UHFFFAOYSA-N 556.666 4.888 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 2314408606 PJPHEDJQXXNRCH-UHFFFAOYSA-N 615.712 4.599 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCC[C@H]4C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314414406 YCYABZGRLMMADW-GOSISDBHSA-N 520.680 4.792 10 10 KJCE CCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)OCC)C2=O)cc1OC 2314761269 RDDCGFZYYBDVLF-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 40938753 FBXJESHCCZGJBP-WJDWOHSUSA-N 502.452 4.789 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 105444966 FSKXOZLCLSYTCH-OZNYCYRCSA-N 571.769 4.699 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864019471 ZQUPCYKCMHRYQI-SWDVRCMSSA-N 537.060 4.948 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033298 WLUWOZWCYHRDRY-JOCHJYFZSA-N 509.006 4.597 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865033345 XTBGUEHOLBLQOW-VWLOTQADSA-N 510.594 4.508 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865189739 HHDACUXRKDMQHP-NDEPHWFRSA-N 549.675 4.795 10 10 KJCE COC(=O)c1c(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccc(C)cc1 1866026731 YTFHPSCMQMFHKL-UHFFFAOYSA-N 521.551 4.742 10 10 KJCE Cc1cc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] 1867878072 XUQYBYHGNGDOHA-FQLXRVMXSA-N 543.668 4.784 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C(C)=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 1868749648 UEHWFKXHWIYKRX-DBVVVMIYSA-N 504.030 4.958 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccnc(Cl)c4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969145 GYKXXYMKBZFXMD-UHFFFAOYSA-N 524.412 4.557 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(F)c(F)c4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970706 OBVIFWYUGJJCDC-UHFFFAOYSA-N 524.959 4.786 10 10 KJCE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCc3ccc(OC)cc3)C2=O)CC1 1873170541 DRLWXUKSBZKPIF-UHFFFAOYSA-N 569.702 4.994 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccc(C(=O)O)cc4)c(I)c3)C2=O)cc1 2294093857 XPFHYAXMOPABAK-UHFFFAOYSA-N 724.245 4.848 10 10 KJCE COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 2313556608 FUTRRICZFYYQBM-UHFFFAOYSA-N 531.565 4.746 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(I)c1O 100540902 CKWSCBDCFOMZOD-MKMNVTDBSA-N 502.230 4.830 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC(C)C 103518376 YDNCVQAAVDOVAW-LZYBPNLTSA-N 507.768 4.812 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 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COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3Cc3ccccn3)CC2)cc1 1870685833 FKIWLHGWIQATNN-UHFFFAOYSA-N 524.665 4.634 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(C(C)(C)C)cc4)[nH]3)CC2)cc1 1871553020 DRLOOTKMMWACHM-UHFFFAOYSA-N 513.646 4.875 10 10 KJCE CCCCCCN1C(=O)C(NC2CCN(C(=O)OCC)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162469 WRYHHYDNTZZBFD-UHFFFAOYSA-N 520.674 4.965 10 10 KJCE CCN1C(=O)C(=Cc2cc(I)c(OCCOc3ccccc3)c(OC)c2)SC1=S 2293591227 KBELTIJJKGMOQS-UHFFFAOYSA-N 541.432 4.979 10 10 KJCE Cc1cc(Cl)ccc1OCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 2296931299 DCWNBXQNSJISRK-UHFFFAOYSA-N 503.942 4.937 10 10 KJCE O=C(O)COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1Cl 2313545745 BZKVTPHSWSHNDZ-UHFFFAOYSA-N 534.996 4.938 10 10 KJCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1Cl 2313561199 YXNKFWWXMOLWOH-UHFFFAOYSA-N 556.800 4.963 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Oc1ccccc1C=O 2314397391 JKIWWACTBDWOHQ-UHFFFAOYSA-N 505.573 4.898 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)S2)CC1 2314476295 MEESHHINKGGRHD-UHFFFAOYSA-N 633.796 4.959 10 10 KJCE CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(Br)cc2)cc1 101316032 POBJLQVZMVPXGN-HSZRJFAPSA-N 574.273 4.954 10 10 KJCE CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 110558101 XRWVTGIJXOLOLE-GLXMVNEWSA-N 568.746 4.558 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864015723 DLEFHYLVJPLBOX-XMMPIXPASA-N 510.594 4.691 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864018172 DVYUVRUWDBKBAX-RUZDIDTESA-N 534.632 4.968 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864021875 RJCIGXUFTBOLFF-OAQYLSRUSA-N 530.547 4.543 10 10 KJCE CCC[C@@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867090733 JCGABOFORPDRGA-RUZDIDTESA-N 510.590 4.965 10 10 KJCE CC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738144 UXHASJWFYCLLMA-WUFINQPMSA-N 508.707 4.639 10 10 KJCE CCC[C@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868961393 AHOXUOOCYYTMIY-NLFFAJNJSA-N 560.533 4.984 10 10 KJCE CCCCn1c(C(=O)NCc2ccccc2F)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873581855 FWRFXPZKYJVZLT-UHFFFAOYSA-N 516.621 4.636 10 10 KJCE O=C(N[C@@H](Oc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 2297498037 BRVBELKIZKMXMZ-IERDGZPVSA-N 605.974 4.580 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1C 2313549209 PTYZLKPNAUPACQ-UHFFFAOYSA-N 510.300 4.901 10 10 KJCE Cc1cccc2cc(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 2314650333 AAUPPCOHUDIRNX-UHFFFAOYSA-N 520.655 4.785 10 10 KJCE COc1cc(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105185 GJRMQQCQHGSPEK-UHFFFAOYSA-N 518.013 4.894 10 10 KJCE CC[C@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 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589.781 4.779 10 10 KJCE Cc1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867821526 XDGJNKPALISICO-LOYHVIPDSA-N 530.688 4.885 10 10 KJCE CCN(CC)CCN1C(=O)C(Nc2ccc(OC)cc2[N+](=O)[O-])=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425599 HKONPRXMNBATHK-UHFFFAOYSA-N 531.613 4.545 10 10 KJCE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)NCCCN(Cc1ccccc1)Cc1ccccc1 2080881581 XCDKSAPFUXGMMP-SANMLTNESA-N 533.669 4.742 10 10 KJCE COc1ccc([C@H](CNC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)N2CCCCC2)cc1 2314625287 XBWJDBRXJLTIOJ-QFIPXVFZSA-N 530.115 4.893 10 10 KJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 38732635 MWTVNYHMEMAUGU-JWGURIENSA-N 513.685 4.560 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 207313164 DZFDXOFPFMZMRH-CLXXUCROSA-N 558.747 4.600 10 10 KJCE Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)ccc1N(C)C 1860569970 DRPVVCHTUZRMNX-UHFFFAOYSA-N 504.546 4.736 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(C(=O)O)cc2)sc(C)c1-c1ccc(Cl)cc1 1860759169 WXVSZYPEAJPDOA-UHFFFAOYSA-N 500.960 4.507 10 10 KJCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)cc1 1864009446 HNDKHCOJMSMUPE-MUUNZHRXSA-N 548.599 4.765 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864016426 OXSIGFSQOZGADE-RUZDIDTESA-N 524.621 4.847 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864021112 KKLAIQHOCFAPHX-RUZDIDTESA-N 512.610 4.856 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864023434 ZAJCJKCBKLZCOP-DEOSSOPVSA-N 526.593 4.570 10 10 KJCE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035191 NNWWDIWVVQFOSW-OAQYLSRUSA-N 531.440 4.775 10 10 KJCE CC(C)c1ccc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1 1866740294 JJVOEFLXOAHKRB-XNMGPUDCSA-N 526.633 4.831 10 10 KJCE 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KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526389254 VKWDQGQTDBHJSJ-NDEPHWFRSA-N 515.610 4.696 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084217835 WFESVZCHBKJQSL-JAIQZWGSSA-N 631.354 4.983 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865028146 QMJGJCXBWTYPBW-RUZDIDTESA-N 528.996 4.525 10 10 KJCE CC[C@@H](NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866734329 CHPWNQHZDTYFFS-BJKOFHAPSA-N 538.600 4.650 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2Br)N2CCCCC2)cc1 1867375246 GXNVJGKPUUMIMS-FQLXRVMXSA-N 593.566 4.905 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)c3ccccc3)CC2)cc1 1868639756 UOXAEIZVHMZJFB-SSEXGKCCSA-N 538.648 4.716 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868688895 JCFMDHNPEHOCRQ-AJQTZOPKSA-N 555.719 4.978 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868710885 XFUDSWJNJXUVIL-SXOMAYOGSA-N 541.758 4.729 10 10 KJCE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccncc2)C1=O 1873418543 NNRDBQLPHDDMQI-UHFFFAOYSA-N 523.549 4.798 10 10 KJCE CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3C(=Cc4ccc(N5CCOCC5)cc4)CCC[C@H]3[C@H]2c2ccc(N3CCOCC3)cc2)n1 2294848225 LGWHSOQDLXGCQF-CYTLCNBWSA-N 625.730 4.921 10 10 KJCE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296727094 PNDRZIXOJWHEMM-UHFFFAOYSA-N 512.660 4.793 10 10 KJCE CCOC(=O)c1c(NC(=O)COc2ccc(C=C3SC(=S)N(C)C3=O)cc2OC)sc2c1CC[C@@H](C)C2 2314488236 KRWGOUOFBUNDRW-CQSZACIVSA-N 560.719 4.907 10 10 KJCE Cc1oc2c(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 2099545 BKQGQENHENEIKQ-ZWKOTPCHSA-N 511.603 4.865 10 10 KJCE COc1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC 33897936 GYVBHSOTBVPNDX-CYXNTTPDSA-N 509.558 4.735 10 10 KJCE biogenic COCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 39835829 BJLBIOFVKPGORA-LFIBNONCSA-N 508.408 4.641 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc(Br)c1O 40940152 YCRLWGXQNVTHFK-NVNXTCNLSA-N 513.822 4.753 10 10 KJCE CC(=O)N[C@@H](Oc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl 83260202 HBIJDJVDVONRBN-FVLHSZHDSA-N 505.832 4.892 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 100860276 PMQCJLJSVLYBRD-XIEYBQDHSA-N 571.703 4.870 10 10 KJCE C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526409 UMYPTLFVVAEZIW-OBAATPRFSA-N 530.374 4.701 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccccc5F)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150449180 BQAXDLXSTMJTEX-VFCFBJKWSA-N 645.782 4.930 10 10 KJCE O=c1c(=Cc2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 254387836 YSVGJTOFNXOOTP-LJAQVGFWSA-N 552.631 4.966 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526330580 AQSRYCCMDATPPL-HSZRJFAPSA-N 525.355 4.885 10 10 KJCE CCc1ccc(OCC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)cc1 1860511489 CBXGMLTWMZSFIJ-UHFFFAOYSA-N 505.530 4.689 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864009605 BZVYLCRQIURSAH-SANMLTNESA-N 540.620 4.564 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016279 LIAKLWRNCSGTOR-VWLOTQADSA-N 524.621 4.815 10 10 KJCE CCc1ccc([C@H]2C(C(=O)N3CCN(c4ccc(OC)cc4)CC3)=C(N)Oc3c2c(CC)nn3CC(C)C)cc1 1865502539 HPGQQSLURARJLJ-HHHXNRCGSA-N 543.712 4.716 10 10 KJCE COc1ccc(-c2csc(CCC(=O)N[C@@H](C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)cc1 1867066771 RZVIJZGCAPASCM-KRWDZBQOSA-N 539.613 4.670 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867729229 JPWVNQVFKFETQI-FIRIVFDPSA-N 645.801 4.887 10 10 KJCE CCCC[C@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867810911 AXMOCMFPUDPUJH-BJKOFHAPSA-N 518.624 4.802 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC3CCC(C(=O)OC(C)C)CC3)C(=O)N(C(C)C)C2=O)cc1 1873170629 IYEWSNBSUBWPJD-UHFFFAOYSA-N 505.659 4.930 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(Cc3ccco3)C2=O)cc1 1873419255 WMFYOWCTTJCFIQ-UHFFFAOYSA-N 522.605 4.916 10 10 KJCE CC(=O)NCCN1C(=O)C(Nc2ccc(Cl)c(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422271 OENYHJXPLLIGGX-UHFFFAOYSA-N 511.409 4.729 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423091 DSJXSPJNODVOAX-UHFFFAOYSA-N 515.614 4.926 10 10 KJCE Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)NCc3ccc(N4C[C@H]5CC[C@H]4C5)cc3)cc2)c1 1892149488 MDEULBNGICUJIO-IGKIAQTJSA-N 503.668 4.701 10 10 KJCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c(C)c1 2313560670 BOHKLXYSPFYCEG-UHFFFAOYSA-N 536.382 4.618 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314600259 VFXWHCGAGBUAAC-HXUWFJFHSA-N 548.777 4.562 10 10 KJCE COc1cccc(Nc2cc(N3CCN(c4ncccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)c1 3741951 VNNYWIQMBGVWAV-UHFFFAOYSA-N 504.550 4.908 10 10 KJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2/C=C2\SC(=S)N(CCCOC)C2=O)CC1 40562574 UEBNDCQWAPELMG-PGMHBOJBSA-N 513.685 4.560 10 10 KJCE CCOC(=O)c1c(NC(=O)c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)sc2c1CCCC2 100208842 RSMZJCXXUUGUTB-LTGZKZEYSA-N 558.616 4.635 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3cc4cccc(C)c4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 101430483 CGYIREKFGAKJSA-HAHDFKILSA-N 532.691 4.655 10 10 KJCE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)c3ccc(CC)cc3)ccc21 103088220 IXUFZKDGYLHYRD-UHFFFAOYSA-N 596.684 4.559 10 10 KJCE COc1ccc(OC)c([C@@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 104208678 KEZTYXUHQZMREF-FCEKVYKBSA-N 537.568 4.652 10 10 KJCE N#Cc1ccccc1[C@@H]1N[C@](Cc2ccc3ccccc3c2)(C(=O)O)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 150600850 CSJAEWVHVILVCW-JXYKNVCWSA-N 645.671 4.999 10 10 KJCE Cc1ccc2nc(-c3ccc(/N=N/[C@@H](C(=O)Nc4ccc(S(=O)(=O)O)c5ccccc45)[C@H](C)O)cc3S(=O)(=O)O)sc2c1S(=O)(=O)O 161012148 KKSKOGCQSCEQNZ-CNAREVMESA-N 720.785 4.637 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 252673375 RCICFUVSXHILES-HHHXNRCGSA-N 576.074 4.588 10 10 KJCE CCc1sc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763953 TXHCXMCPLKQECN-UHFFFAOYSA-N 545.411 4.510 10 10 KJCE CC[C@H](CC(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868960971 ILWGPLZRDZZMOI-PIIWDFAUSA-N 560.533 4.984 10 10 KJCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314837981 ZIZBJTIVBCIWEY-SECBINFHSA-N 586.283 4.844 10 10 KJCE O=C(O)c1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 3742055 FCSFQJSRVBCWPG-UHFFFAOYSA-N 518.533 4.598 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 33445697 UDYJNIAKTAWWHU-XTDLYENGSA-N 520.680 4.579 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c1 39835745 BNLADDDWBHNEST-XSFVSMFZSA-N 523.636 4.985 10 10 KJCE O=C1Nc2ccccc2/C1=C\c1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 39949401 KGVQCWZJUICCNV-QGOAFFKASA-N 505.315 4.542 10 10 KJCE Cc1cc(/C=C2\C(=O)N(c3ccccc3F)C(=S)N=C2O)c(C)n1-c1ccc(N2CCOCC2)cc1 59087299 JKLVNMYOZOJPFW-JWGURIENSA-N 504.587 4.741 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC(C(=O)OCC)CC4)c3)S2)CC1 150448419 FULHQLHNXBXRIN-SWKFRHMKSA-N 705.859 4.749 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 1084279321 NEBAILIVJDURFY-ODLFYWEKSA-N 560.294 4.815 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864023439 ZBMWPUWYDZLRQS-FBKPGLSJSA-N 546.590 4.749 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865032731 JJDROBBOWPXGJK-QRQCRPRQSA-N 509.006 4.595 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1865035488 VEADQXPRCNRENN-RUZDIDTESA-N 518.658 4.865 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867505507 FYFJSEZWACDMPS-MLZZNZMKSA-N 653.824 4.842 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(C(=O)c5c[nH]c6ccccc56)CC4)nc(C)n3)CC2)cc1 1869303522 ZXAOAABPEQJPDX-UHFFFAOYSA-N 510.642 4.701 10 10 KJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)N(c5ccccc5)[C@@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1869363524 LBVQKPKFRPBYHD-DQEYMECFSA-N 535.696 4.977 10 10 KJCE COc1ccc(OC)c(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873930819 JVAXDXZCDPAPAO-LJAQVGFWSA-N 510.594 4.834 10 10 KJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1OC 1873931285 JMRBMLFYLQOWFC-GDLZYMKVSA-N 510.594 4.834 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc(Cl)c4)n(-c4ccccc4)n3)CC2)cc1 2331394415 FDDBHSMQDJWOTN-UHFFFAOYSA-N 515.017 4.908 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(OC)cc1 103566590 LCNCVPGWTUCTKD-UZDYXXGDSA-N 534.516 4.733 10 10 KJCE Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c1C 1084491697 SQRANPJBBADBKG-JAIQZWGSSA-N 522.355 4.530 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864019158 HCILHCAUQAEINN-RUZDIDTESA-N 516.642 4.829 10 10 KJCE CCOC(=O)C1=C(C)C(C(=O)OCC(C)C)=S=C1NC(=O)c1ccc(-c2ccc3cnccc3c2)cc1 1866181246 WUCKPBPYNMMDRV-UHFFFAOYSA-N 516.619 4.760 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867780789 ULGCJICRZJYRTR-SHUZPENHSA-N 670.811 4.871 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2cccc(F)c2)c2ccccc2)N2CCCCC2)cc1 1867837209 FBABNRDLEPNYGY-VSGBNLITSA-N 502.634 4.706 10 10 KJCE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3Cl)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869006562 ALIMMCJEGBWXPS-RUZDIDTESA-N 573.097 4.793 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(F)c4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970969 VRBPPJQWEMEISW-UHFFFAOYSA-N 506.969 4.647 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425806 MRQLFQJVTIGTIQ-UHFFFAOYSA-N 519.045 4.662 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)CCc4ccccc4OC)c3)CC2)cc1 1874736502 ZHEMISAGQQRHCV-UHFFFAOYSA-N 502.611 4.637 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)c(OC)c3)ncnc21 1875212591 ARUUOKYXYXRGAX-UHFFFAOYSA-N 572.710 4.874 10 10 KJCE CNc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1I 2313560861 JJQFYMBRJIMLRH-UHFFFAOYSA-N 668.092 4.531 10 10 KJCE O=C(O)C[C@@H](C(=O)O)N1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323831496 VUAFYNFBRAERKM-IBGZPJMESA-N 531.011 4.503 10 10 KJCE Cc1nn(Cc2ccccc2)c(C)c1N/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 59858850 GATDBIBBMUHVGC-UNOMPAQXSA-N 522.403 4.506 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(OC)cc1 101430958 AAYUSMISCZQFCE-JOPZDBJVSA-N 542.386 4.765 10 10 KJCE O=C(CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)s1)Nc1ccccc1C(F)(F)F 102371663 HXSBRFMZKVUFCF-NXVVXOECSA-N 562.580 4.692 10 10 KJCE CC(C)[C@H](C(=O)Nc1ccc(O)cc1C(=O)O)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606672124 RLACKTPFFIITIV-ZTXRYZOMSA-N 535.441 4.717 10 10 KJCE CCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 1084093580 RGOASKRLILNMSR-OQLLNIDSSA-N 616.193 4.578 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084178095 LBPNKZIOCDHAHE-YVLHZVERSA-N 586.395 4.915 10 10 KJCE CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)c1 1084540241 RXMKQCWJVRXAFZ-HMAPJEAMSA-N 552.450 4.865 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864014028 LQJPEHDQTWCNLL-HOYKHHGWSA-N 510.594 4.868 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1 1864017092 FIYNRKAPJCIYNV-HSZRJFAPSA-N 547.011 4.654 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864019784 QWCXJAUJIUGETQ-AREMUKBSSA-N 528.653 4.915 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865029719 UELQKKKZYFLLHC-VWLOTQADSA-N 532.641 4.730 10 10 KJCE Nc1ccc(Cc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)cc2)cc1 1865878919 CNVPCONDLCBEKD-UHFFFAOYSA-N 505.530 4.637 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(F)cc2)c2ccccc2)N2CCCCC2)cc1 1867342257 APMUSYAPTUATQG-WUFINQPMSA-N 502.634 4.706 10 10 KJCE CC[C@@H](CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1cc(Br)ccc1OC 1868964657 SIQCHPMPCNOMHQ-CCLHPLFOSA-N 560.533 4.840 10 10 KJCE CC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423096 DWOZUFMXYVBPKQ-UHFFFAOYSA-N 522.609 4.531 10 10 KJCE 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576.738 4.806 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1 103848826 MBUYLIQBBUMBBZ-ODLFYWEKSA-N 525.330 4.842 10 10 KJCE CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 110523114 CBKZQUKOCJDNEH-IWIPYMOSSA-N 563.680 4.508 10 10 KJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110553022 KAACPEGRFGXQDV-NKFKGCMQSA-N 588.759 4.833 10 10 KJCE CC(C)[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 1081156918 URLYXIICWMHVLG-WAFWZSCLSA-N 508.543 4.950 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(F)cc1 1084146967 IKBMPELXKIHQCU-PMERELPUSA-N 585.701 4.930 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccc(OC)cc2)N(C)C)sc(C)c1-c1ccc(OCC)cc1 1860762683 NQGNVCATIPUOKG-QHCPKHFHSA-N 553.681 4.665 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)c1 1864011742 KUOHJIBWWOIJRX-MUUNZHRXSA-N 538.648 4.896 10 10 KJCE 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COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4)n(-c4ccc(Cl)c(Cl)c4)n3)CC2)cc1 1869970143 ZXOSPURANNMLRT-UHFFFAOYSA-N 524.412 4.557 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccco3)C2=O)cc1 1873169683 SIWPIJQEFBFNQT-UHFFFAOYSA-N 505.578 4.676 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 2296724098 NWVUAQAIZVFXHU-QGZVFWFLSA-N 542.642 4.998 10 10 KJCE O=C1C(=C2SC(=S)N(CCC(=O)N3CCCc4ccccc43)C2=O)SC(=S)N1CCC(=O)N1CCCc2ccccc21 2297463803 YBEAWMLYTWFGCY-UHFFFAOYSA-N 636.846 4.658 10 10 KJCE COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1Cl 2313559343 WTRALIFZQIKGQK-UHFFFAOYSA-N 511.962 4.505 10 10 KJCE COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)c1 2313683683 RINDZKHPFQURQU-UHFFFAOYSA-N 517.513 4.545 10 10 KJCE O=C1N=C(O)/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2 33248686 BRZGLTYGTPWQLE-NHDPSOOVSA-N 510.462 4.833 10 10 KJCE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 59860669 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4.971 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccc(F)cc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869192668 UBOCLGGGLBDRBW-AREMUKBSSA-N 518.681 4.742 10 10 KJCE CC(=O)NCCn1cc(OCCOc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871047250 UPKCQIFLXBQKCC-UHFFFAOYSA-N 512.610 4.798 10 10 KJCE Cc1ccc2c(c1)C(=Cc1nc3ccc(I)cc3c(=O)n1Cc1ccccc1)C(=O)N2C 2295998929 JFZVZMWQZFHAMS-UHFFFAOYSA-N 533.369 4.875 10 10 KJCE CCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296696679 LFRUZJVFQYKUEV-UHFFFAOYSA-N 504.681 4.683 10 10 KJCE CCCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296731241 IENBJEMRUADEFL-UHFFFAOYSA-N 551.713 4.942 10 10 KJCE CCN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508822 NUKSAMSMFZKEOD-UHFFFAOYSA-N 545.636 4.757 10 10 KJCE COc1ccc(OCCn2cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c3ccccc32)cc1 103748782 JJVXELTXDSDXRK-UQQQWYQISA-N 527.602 4.569 10 10 KJCE 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COc1cc(/C=C2\SC(=S)N(CCCC[C@H](C(=O)O)N3C(=O)/C(=C/c4ccc(O)c(OC)c4)SC3=S)C2=O)ccc1O 195806776 JMSSAZALVKCYRE-RCZAIQRSSA-N 646.790 4.841 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1 1084405836 OVSZNAVNSTWGJX-PMERELPUSA-N 567.711 4.790 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864012236 VFISAHVYFIMUNP-CCQPRUGESA-N 523.033 4.694 10 10 KJCE CN(C)c1ccc([C@@H](NC(=O)CCCOc2ccc(Cl)cc2Br)c2nccn2C)cc1 1865935865 DASQEBOHNXMKNB-JOCHJYFZSA-N 505.844 4.967 10 10 KJCE COc1cccc(-c2nc(CC(=O)N[C@@H](CCSC)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866675380 FFMREUFGRUTRJQ-VWLOTQADSA-N 583.666 4.853 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867306525 SPNMIJOJGMYYRF-IOWSJCHKSA-N 586.733 4.972 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccccc4Cl)oc3C)CC2)cc1 1868647003 CXPGMZLMCIDDRC-LJAQVGFWSA-N 573.093 4.931 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@H](C)N(CCCOC)[C@H](C)C3)n2)cc1 1869328639 HVVKBQQWNXKYNM-WMPKNSHKSA-N 574.770 4.813 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cc(Cl)ccc3Cl)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425982 QEYIYEZJZKOEIG-UHFFFAOYSA-N 539.463 4.925 10 10 KJCE Cc1c(N2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314476931 YEFAKXNRKBXVPN-UHFFFAOYSA-N 656.815 4.993 10 10 KJCE CC[C@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100850942 GKSLJJVPGGJXNB-PESPDQJRSA-N 600.770 4.975 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 102469672 OTSYZMDFKURKDW-CGVBMLBPSA-N 527.606 4.914 10 10 KJCE CCN(CC)c1ccc(C2N(S(=O)(=O)c3ccc(C)cc3)CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 104844388 SKHUYYSBWQVSGM-UHFFFAOYSA-N 541.739 4.934 10 10 KJCE COc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1 1084648320 WOBQQXIVCWGUJJ-DEDYPNTBSA-N 508.914 4.840 10 10 KJCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865026018 IAIPUXNUQGSUCN-HHHXNRCGSA-N 524.621 4.936 10 10 KJCE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3ncncn3)CC2)n1 1868340799 JCHOEAXJVNUIIO-UHFFFAOYSA-N 519.609 4.862 10 10 KJCE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165044 FLKTWFZUSOKFIU-UHFFFAOYSA-N 531.653 4.666 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165984 ZCCBXFAMWNKQKN-UHFFFAOYSA-N 529.637 4.566 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1[N+](=O)[O-] 1873418643 SATJVPUFVNZALU-UHFFFAOYSA-N 523.549 4.798 10 10 KJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 2294229439 TUPNUSQQSPHGKI-UHFFFAOYSA-N 515.334 4.920 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccccc4OC)c(OCC)c3)C(=O)N=C2S1 2297307164 OGBUGJKYERCSKK-UHFFFAOYSA-N 508.600 4.971 10 10 KJCE O=C1NN(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2297604888 AIUUGXCEBWNBDU-UHFFFAOYSA-N 533.132 4.841 10 10 KJCE CN(C)c1ccc(CN(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 2314430388 ZIDCDOIYNJWISM-GDLZYMKVSA-N 540.689 4.834 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCC(C(=O)OCC)CC4)c3)S2)CC1 2314475926 FULHQLHNXBXRIN-UHFFFAOYSA-N 705.859 4.749 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)C(=Cc4ccc(O)c(OC)c4)S3)[C@@H](c3ccccc3O)C2)cc1 2314951600 DZSGGDVUFCPOFH-OAQYLSRUSA-N 501.564 4.937 10 10 KJCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 39989902 XRJPKEZVLOECTD-HMAPJEAMSA-N 510.660 4.969 10 10 KJCE CCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 40940432 YAUWXYHTXOGKEO-ZCXUNETKSA-N 516.442 4.512 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100885028 OUJXXZUWWPQUHG-OEAKJJBVSA-N 562.673 4.669 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2sc(C)cc2C(=O)OC)sc(C)c1-c1ccc(F)cc1 1860767261 KIMRTDVNTOPFLO-UHFFFAOYSA-N 504.561 4.773 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015511 ASVXZUNORPWLFV-XMMPIXPASA-N 540.620 4.687 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864019446 YXMQMBJQXOCFHT-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4sccc4C)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970718 OJAQMAIOIOXNDB-UHFFFAOYSA-N 509.035 4.878 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873166029 ZALSHVGZZTUGBZ-UHFFFAOYSA-N 525.653 4.698 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3ccccc3Cl)CC2)cc1 1874643423 XVTDLEIJKMLPDC-HHHXNRCGSA-N 517.029 4.520 10 10 KJCE CCOC(=O)c1c(NC(=O)Cn2c(C)c(C=C3SC(=S)N(CC(=O)O)C3=O)c3ccccc32)sc2c1CCCC2 2294704092 OCOONJZCVRYTLP-UHFFFAOYSA-N 597.740 4.991 10 10 KJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2297333783 RKDXXLNLZDVZDO-UHFFFAOYSA-N 517.976 4.775 10 10 KJCE CCCOC(=O)c1cccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)c1 2297462120 DQKBJAFMPWPGRK-UHFFFAOYSA-N 547.511 4.509 10 10 KJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)C)C2=O)ccc1Br 2313548187 OEQLFAAWXLEFHF-UHFFFAOYSA-N 522.193 4.974 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 2313558403 ZUQKMOGOBDCYPK-UHFFFAOYSA-N 586.357 4.993 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3cc4cc(C)ccc4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 2314650521 LUKZCNKCPPOFIE-UHFFFAOYSA-N 532.691 4.655 10 10 KJCE COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4cccc(NC(C)=O)c4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1 2118856 GXUAJUUEICEVSV-JCYYIGJDSA-N 506.558 4.676 10 10 KJCE biogenic COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCc1ccccc1F 100323288 LMVDEZTXHQRCEU-CXUHLZMHSA-N 515.369 4.849 10 10 KJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 101740035 QWFFJDFBLCWDIA-UWFGVWCKSA-N 538.691 4.974 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 101740037 QWFFJDFBLCWDIA-YFORGORKSA-N 538.691 4.974 10 10 KJCE C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCC(=O)Nc2cccc([N+](=O)[O-])c2)SC1=S 105813221 SPOPUYPRFXNOCL-XKZIYDEJSA-N 526.640 4.846 10 10 KJCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110521622 LBDCBWVPIDYYJG-RRAHZORUSA-N 583.783 4.814 10 10 KJCE CCOc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526449027 RFDWPFOOIDGVOA-RUZDIDTESA-N 507.539 4.970 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(F)c1 1084002691 VRDRFHBFZYZUSX-NDENLUEZSA-N 525.330 4.842 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009116 ZPAJYZMPDWTLCY-CLYVBNDRSA-N 524.621 4.785 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012584 DMNUQECKZIZAES-DEOSSOPVSA-N 522.621 4.825 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864019432 YOODJPVANBTWTI-WONHAXNMSA-N 537.060 4.948 10 10 KJCE COC(=O)c1c(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccc(C)cc1 1866024469 YRZPIXWWTGWRFV-UHFFFAOYSA-N 521.551 4.742 10 10 KJCE CC(C)(NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866690584 XABLFZHLGWRCIH-RUZDIDTESA-N 517.585 4.717 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3nc(C4CC4)n4ccccc34)CC2)cc1 1868777246 GFIJFSRVRRAFGU-MHZLTWQESA-N 569.731 4.601 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc54)nc(C(C)(C)C)n3)CC2)cc1 1869192405 IARXOYLZMPCUBT-UHFFFAOYSA-N 503.647 4.821 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(C(F)(F)F)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873162258 NCERMMTWQRUDGM-UHFFFAOYSA-N 533.554 4.948 10 10 KJCE CCOC(=O)c1ccc(CN2C(=O)C(NCc3ccncc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164348 XQPUUWWVHVDCJV-UHFFFAOYSA-N 534.616 4.736 10 10 KJCE CCOc1cc(C=C2C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1O 2297461674 ATQPVNMQEHXKSS-UHFFFAOYSA-N 530.600 4.739 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCC(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)C2=O)cc1 2314625153 FZZABRSVZSLPGH-DEOSSOPVSA-N 539.723 4.639 10 10 KJCE CCOCCCN1C(=O)C(=Cc2cc3cc(C)ccc3nc2N2CCC(C(=O)OCC)CC2)SC1=S 2314650584 QBANQTKOXMHEEX-UHFFFAOYSA-N 527.712 4.951 10 10 KJCE COC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314754488 TYHDCVNSTWSRRR-UHFFFAOYSA-N 599.569 4.784 10 10 KJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)C(=Cc3cccc(Br)c3)SC2=S)cc1 2314837006 MXGATCVKBSMVHR-CYBMUJFWSA-N 519.442 4.854 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34378416 MSQAKMZCRMHUDC-GDUPUGJQSA-N 508.669 4.540 10 10 KJCE COc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(N(C)C)cc3)=NC2=O)cc1 54201768 RCKSEZBJFPIIJM-IZZNHLLZSA-N 527.650 4.939 10 10 KJCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 137697019 DSUGGBCOURCTNV-OMFXCZPBSA-N 550.706 4.661 10 10 KJCE CCOC(=O)c1c(NC(=O)/C(Cc2ccccc2)=C2\SC(=S)N(C)C2=O)sc2c1CCCC2 211908828 LXURYEUXGQZDAF-MNDPQUGUSA-N 500.667 4.729 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(OC)cc1)=C(N)O2 1864010346 LBMDWKDMWFYMQQ-DWXRJYCRSA-N 540.620 4.817 10 10 KJCE CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866006161 OQFOPIVYMBDJMO-RUZDIDTESA-N 503.599 4.825 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)c2ccccc2)N2CCCCC2)cc1 1867626158 GYOOGYIIDUAKEV-KVBYWJEESA-N 701.824 4.859 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2I)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867860943 JKAAGMOKIVBIBT-FIRIVFDPSA-N 682.603 4.967 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867947532 UEOZVCSSLCFVGU-UHFFFAOYSA-N 550.707 4.738 10 10 KJCE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2297534326 KGAGHADPYDVIJG-UHFFFAOYSA-N 613.490 4.763 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc(F)c1 2313558082 SEUGVASGBSMOBM-UHFFFAOYSA-N 543.320 4.981 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 2314397462 PHOQWAQNDFYGGE-UHFFFAOYSA-N 586.695 4.916 10 10 KJCE CCOCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314413700 FHVLJZNSDKEFJT-UHFFFAOYSA-N 500.690 4.621 10 10 KJCE C[C@@H](NC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21)c1ccccc1 2326945299 NEKLCOILPBCWHW-QGZVFWFLSA-N 507.637 4.585 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 2331397899 FMORUVLBUXJODA-UHFFFAOYSA-N 515.017 4.908 10 10 KJCE CCOc1c(I)cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1OC 6600251 SYFCOEYPVSZBIA-RIYZIHGNSA-N 601.260 4.601 10 10 KJCE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2OC)sc2c1CC[C@H](C)C2 101035424 KRWGOUOFBUNDRW-GQFJFNLSSA-N 560.719 4.907 10 10 KJCE CSCC[C@]1(C(=O)O)N[C@H](c2cccc(C(F)(F)F)c2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 102465147 LKCFDBAPIKFCCP-UMDYSXRGSA-N 622.621 4.503 10 10 KJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 104485085 YPJFZPKZHFGFOP-MJSBPXROSA-N 526.640 4.718 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(-c2ccc(I)cc2)o1 1084218681 HAFBNNDTTFJRSM-BOPFTXTBSA-N 563.145 4.980 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864008873 UEVXGWXGOHHPAK-ZPBXOSQXSA-N 509.006 4.635 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012802 JNTYTKJQVZADFM-AREMUKBSSA-N 542.611 4.754 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864013624 YKAGEWXSKBDRAT-VWLOTQADSA-N 545.039 4.960 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864017568 PCDPDCLBIFMPOL-HSZRJFAPSA-N 520.630 4.771 10 10 KJCE COC(=O)c1c(NC(=O)c2cc(=O)c3c(OC)c(OC)c(OC)cc3[nH]2)sc(C)c1-c1ccc(C)cc1 1866546171 GHPQSKWVZLNDMV-UHFFFAOYSA-N 522.579 4.938 10 10 KJCE CCC[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867859551 LZMLWLWQESFDRG-DQEYMECFSA-N 576.523 4.599 10 10 KJCE 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CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 2296538382 LWFLYNCMCYKZKE-UHFFFAOYSA-N 612.781 4.578 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2313560835 IMCDRAFVNDJAQQ-UHFFFAOYSA-N 565.376 4.791 10 10 KJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2313681361 CJXCOUFMHJTNHH-UHFFFAOYSA-N 523.615 4.990 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCCCC3)nc12 2314399991 GZIGJXAFCYBANY-UHFFFAOYSA-N 586.743 4.587 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C(C)=Cc3ccccc3Cl)c3ccccc3)CC2)cc1 2330104972 UEHWFKXHWIYKRX-MHZLTWQESA-N 504.030 4.958 10 10 KJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)oc12 100953252 HBJSIIPZXSAJID-CVHFWEDTSA-N 551.671 4.682 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCCOc1ccccc1C 102481820 WNVRMZNSIIJCEF-HVOLAPKFSA-N 527.606 4.914 10 10 KJCE O=C1/C(=C\c2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 150421925 AZGRSPBNZZSIPX-WGOQTCKBSA-N 632.167 4.800 10 10 KJCE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 256025298 XOTWISXSRYQEPN-VGPASCDASA-N 624.810 4.717 10 10 KJCE O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1/N=N/c1ccc(NC(=O)c2ccc(/N=N/c3ccc(O)c(C(=O)O)c3)cc2)cc1 575431835 VLEROZTXHVGLOT-LXBFLIFWSA-N 671.604 4.945 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084650400 YYDZORDAXAYMAR-AREMUKBSSA-N 637.512 4.795 10 10 KJCE COC(=O)c1c(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)sc(C)c1-c1ccc(C)cc1 1860761361 SDTQZACHRSJTMQ-UHFFFAOYSA-N 505.640 4.538 10 10 KJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2Cc2ccccc2F)cc1 1862374265 OHTQGQXAXBCJSJ-UHFFFAOYSA-N 500.574 4.717 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011659 XDYIAFQLQDPJFH-QFIPXVFZSA-N 537.041 4.962 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012817 JWPQIXPWLKIBBI-VWLOTQADSA-N 545.039 4.960 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013514 XNQFZGPKJWZXRL-HSZRJFAPSA-N 525.049 4.805 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015058 IVNYNWZWVNDCCZ-INIZCTEOSA-N 543.329 4.828 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019154 HCGZGAUGFKVUKF-NRFANRHFSA-N 523.014 4.572 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864021572 PYIYVPVWJVVQHQ-VWLOTQADSA-N 524.621 4.867 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@@H]2c1ccc(O)c(O)c1 1864022502 NJSPBWKCLJHZKF-GOSISDBHSA-N 536.938 4.634 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028959 CAYBNRNATSWJHJ-MWTRTKDXSA-N 523.033 4.985 10 10 KJCE Cc1cc(Br)cc2c(=O)c(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866459975 GOBCVABKEHZNRA-QHCPKHFHSA-N 511.464 4.622 10 10 KJCE CC[C@@H](NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866874445 BWKVQPMOTMRYAT-HXUWFJFHSA-N 508.578 4.554 10 10 KJCE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867453636 JFPZQAREFMOWEB-BCRBLDSWSA-N 703.840 4.948 10 10 KJCE CC[C@H](NC(=O)[C@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868861548 IDIMLJLIOKLPQE-ZEQRLZLVSA-N 506.474 4.985 10 10 KJCE CC/C(=C\C(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868947925 IPQNXFMFANOKKT-FNQUWORCSA-N 558.517 4.893 10 10 KJCE CCc1nc(N2CCN(CCCc3ccc(Cl)cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869126391 SJWCUFXGTSRPKI-UHFFFAOYSA-N 535.136 4.782 10 10 KJCE COc1ccc(OC)c(NC(=O)CSC2=NC(=Cc3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)c1 2297672463 PJQLCSZWGWXDSO-UHFFFAOYSA-N 516.623 4.885 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1ccccc1OC 101438811 UYSWHRNEOSYCJF-PGMHBOJBSA-N 536.968 4.872 10 10 KJCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@H]23)cc1 101825641 JKOQUUPJGAPAQR-BHDDXSALSA-N 506.341 4.997 10 10 KJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 102990081 QBPLAPSTIHYZCX-LPYMAVHISA-N 536.679 4.759 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3C(SCC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 104485390 JYIBFWOPAMWFGY-KPEWDKKYSA-N 549.428 4.990 10 10 KJCE Cc1cccc(C)c1NC(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643588889 LHCWZRNPIMSQMP-UHFFFAOYSA-N 529.681 4.581 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864012912 MBLJMCWDHFQBKF-SAQVGAHLSA-N 534.632 4.824 10 10 KJCE NC1=C(C(=O)NC2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015765 FEINLIPGNRCFPT-VWLOTQADSA-N 537.620 4.879 10 10 KJCE CN(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865031767 NVZMPBIXIRDWNQ-SANMLTNESA-N 545.599 4.699 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4c(F)cccc4Cl)n(-c4ccccc4)n3)CC2)cc1 1869970949 URECTPQGDDWVOS-UHFFFAOYSA-N 506.969 4.647 10 10 KJCE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)OC1CCCCC1 1871024473 MIKNQOIWYLSPLU-UHFFFAOYSA-N 505.615 4.841 10 10 KJCE COc1ccc(OCCN2C(=O)C(NCCOc3ccccc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164434 BSGUMGXLBRFIIG-UHFFFAOYSA-N 551.643 4.930 10 10 KJCE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873421019 CJOYFIRNVCZJOQ-UHFFFAOYSA-N 515.610 4.888 10 10 KJCE COCCCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296696727 VITULWHCJUBOAJ-UHFFFAOYSA-N 548.734 4.700 10 10 KJCE CC(=O)Nc1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 2297500079 IOHPMOBDUXUVBN-UHFFFAOYSA-N 542.979 4.999 10 10 KJCE Cc1ccccc1OCCn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 2297508777 JEOTXEZYXMOWJL-UHFFFAOYSA-N 557.672 4.567 10 10 KJCE COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2313548251 PZTUKAAZSCSBKV-UHFFFAOYSA-N 624.172 4.724 10 10 KJCE CCOC(=O)C1CCN(C(=O)CCc2ccc(-c3ccc(F)cc3)n2-c2ccc(NC(C)=O)cc2)CC1 23449829 MURPAOBCEQCYHW-UHFFFAOYSA-N 505.590 4.976 10 10 KJCE CCCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 102966002 AWIMTPXYHGEHRN-IPEMGORNSA-N 508.600 4.589 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864008617 OKPOHHPTSUKCSA-MYYSRTQBSA-N 516.985 4.817 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864011195 RNVJFEWHRGYUTP-XMMPIXPASA-N 531.012 4.900 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864015668 UYGMEVJDTFMLCV-FQEVSTJZSA-N 530.547 4.589 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@H]2c1ccc(O)c(O)c1 1864016118 HVYGRHLAYIRJLQ-DEOSSOPVSA-N 540.620 4.687 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865026713 RGULYEKXPLPFNL-RUZDIDTESA-N 522.621 4.914 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029546 PSKHLUHPDFCKNU-DEOSSOPVSA-N 502.615 4.642 10 10 KJCE CCc1sc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865989130 ZPBHBKAQJRLFNS-LJQANCHMSA-N 633.542 4.565 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)N2CCCCC2)cc1 1867516851 AJNHDVFIUKSIMK-GDLZYMKVSA-N 587.765 4.533 10 10 KJCE CCOc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537015 MXQMWTHCDPFECE-JSOSNVBQSA-N 558.723 4.541 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867809096 KQTQARHKXJHDID-SXOMAYOGSA-N 570.631 4.994 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCC4CCCCC4)cn3Cc3ccncc3)CC2)cc1 1870483558 YHPGDXJDCGGZRZ-UHFFFAOYSA-N 502.659 4.582 10 10 KJCE Cc1cccc(NC(=O)COc2cn(C[C@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871173824 SZPVTFRJZLXZNQ-QFIPXVFZSA-N 512.610 4.911 10 10 KJCE CCN(CC)CCN1C(=O)C(Nc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426103 UIVDFRVZMPDNOE-UHFFFAOYSA-N 516.642 4.645 10 10 KJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3ncc(Cc4ccc(C)cc4)s3)C2=O)cc1OC 2297295617 WQZCDWLSGPZMDB-UHFFFAOYSA-N 525.677 4.899 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313558191 VGJZJTZRXQGTNV-UHFFFAOYSA-N 540.301 4.742 10 10 KJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314766834 CFLOYOFSKVRNDR-QHCPKHFHSA-N 619.559 4.965 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2346648 AMPOUGCJFWSGHJ-GUBFPNNNSA-N 516.069 4.581 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc([N+](=O)[O-])c1O 101512300 BLAZOIHOSIQUTK-JAIQZWGSSA-N 537.912 4.598 10 10 KJCE CC(=O)O[C@@H]1CCC2=C(CC(=O)N[C@@H]3[C@]2(O)C(=O)C(=O)[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@]32C)C1(C)C 261493313 RBXLMFLETQIDJM-ILMCCWRZSA-N 529.718 4.691 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 1084481323 MQKSCTAMDUBMFB-UYRXBGFRSA-N 521.526 4.543 10 10 KJCE CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 1084566801 XSDJLPMDBUXTMW-XFFZJAGNSA-N 528.197 4.581 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864014216 PNUMMIZCMHLDSZ-RUZDIDTESA-N 540.620 4.960 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864015897 GCQUUVBVYMFTOC-XTQVGHSUSA-N 502.615 4.761 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028932 BQLQRPLYKCSQGH-HJPURHCSSA-N 523.033 4.843 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865030767 QKSQVEOQNVTIRL-DYLHXGEVSA-N 530.669 4.803 10 10 KJCE CCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867538213 XBDGHAMPDHDSTA-NSOVKSMOSA-N 508.707 4.783 10 10 KJCE Cc1nncn1C1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)C)n2)CC1 1868228665 SGSPNUBRVPZPCD-UHFFFAOYSA-N 507.598 4.860 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)C[C@H](c3ccccc3)C3CC3)CC2)cc1 1868685448 CJQPTRHMVHYZBQ-LOYHVIPDSA-N 511.666 4.655 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3Cc3ccncc3)CC2)cc1 1870620636 JVJVCNKGFXREON-UHFFFAOYSA-N 510.638 4.510 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCOc4ccc(C)cc4)cn3CCC(C)C)CC2)cc1 1870776234 WGHGWMGSKXLSTB-UHFFFAOYSA-N 519.686 4.991 10 10 KJCE Cc1cc(C)cc(OCCN2C(=O)C(NCCCn3ccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873167827 ZJFXDJCWBPZKBB-UHFFFAOYSA-N 537.664 4.746 10 10 KJCE CCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2296712249 NRXNHXUZTTZDDH-UHFFFAOYSA-N 530.469 4.806 10 10 KJCE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)C1 2296849771 QNSDAMZTTPUYEY-SFHVURJKSA-N 538.720 4.791 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 2313558492 CCGFJODCDYIMTK-UHFFFAOYSA-N 632.407 4.547 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(F)c1 2313559823 VRDRFHBFZYZUSX-UHFFFAOYSA-N 525.330 4.842 10 10 KJCE COc1ccc(S(=O)(=O)N2C(=O)/C(=C3/SC(=S)N(Cc4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 1293734 APLBSENCNGLFGM-QURGRASLSA-N 557.074 4.856 10 10 KJCE Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O 34164767 AZPSSDWPMSICSH-ZNZIZOMTSA-N 509.566 4.820 10 10 KJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)oc12 100953251 HBJSIIPZXSAJID-UUMRFZBWSA-N 551.671 4.682 10 10 KJCE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccco1 101013168 MEDHAJADQRQZDQ-UQQQWYQISA-N 592.724 4.555 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 101354016 ADDKWBWOKGXIGU-FDJRJZQMSA-N 539.723 4.560 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 150657876 VPXREKPFICAIRK-PSQINSSGSA-N 644.866 4.738 10 10 KJCE CC(=O)O[C@@H]1CCC2=C(CC(=O)N[C@@H]3[C@]2(O)C(=O)C(=O)[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@]32C)C1(C)C 261493314 RBXLMFLETQIDJM-NNSSWUISSA-N 529.718 4.691 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 1084020681 VGJZJTZRXQGTNV-ODLFYWEKSA-N 540.301 4.742 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1OC 1858588185 ULVYJLRDTYAKRP-XYHOIZSOSA-N 503.598 4.615 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019185 HPIQYSNFOGIUSX-QHCPKHFHSA-N 534.975 4.649 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865028934 BQLQRPLYKCSQGH-QMHKHESXSA-N 523.033 4.843 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030400 JCRZDLHDMPCJGC-JOCHJYFZSA-N 511.022 4.512 10 10 KJCE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867845785 QKEUELYSJUUWDP-SHQCIBLASA-N 568.675 4.509 10 10 KJCE CCC[C@@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868961390 AHOXUOOCYYTMIY-NBGIEHNGSA-N 560.533 4.984 10 10 KJCE CCc1nc(N2CCN(CCCc3cccc(Cl)c3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869126407 UEZSUBYDULKRHZ-UHFFFAOYSA-N 535.136 4.782 10 10 KJCE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)C[C@H]1C 1869148914 KFOBCIYOAJLRSI-WMPKNSHKSA-N 544.744 4.723 10 10 KJCE CCOc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c1 1873423142 GRSOWFFAKYYYCB-UHFFFAOYSA-N 509.610 4.972 10 10 KJCE CCN(CC)CCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425818 NDJWZEBVDSTICG-UHFFFAOYSA-N 516.642 4.645 10 10 KJCE Cc1ccc(S(=O)(=O)c2nc(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)oc2N2CCOCC2)cc1 2296929515 BMKKSDLNRZIZEK-UHFFFAOYSA-N 576.121 4.707 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)c(OC)c1 2313541430 HKKAREOBEOQQRQ-UHFFFAOYSA-N 601.466 4.856 10 10 KJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2314627565 JBFIBYKQSJJIMW-QHCPKHFHSA-N 509.697 4.552 10 10 KJCE C[C@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15048086 ATVRDLRFSXHWPQ-ZSYKKXJESA-N 512.653 4.617 10 10 KJCE COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4C=CSC4=NC3=O)cc2Br)c1 20032519 AVVFAHQEERIPPY-GQZSXMDHSA-N 500.374 4.692 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 100312600 WANDIGSXSAGRBJ-UDWIEESQSA-N 567.417 4.566 10 10 KJCE COc1ccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(c5ccccc5)SC4=NC3=O)cc2OC)cc1 100711522 IBOZSAVLAZWHDY-APUKAWEPSA-N 528.590 4.829 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCc3ccccc3)nc12 100886189 UZYZRAKDXKACJY-BUVRLJJBSA-N 556.669 4.788 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@@H]3C)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 150624675 KOVRBGHKMVCNQC-WTFDWONZSA-N 655.615 4.733 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 526563040 PMWFMQMXVCDJQH-SANMLTNESA-N 519.550 4.747 10 10 KJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)sc(C)c1-c1ccc(C)c(C)c1 1860748488 BUSXQRGJKBFRDY-UHFFFAOYSA-N 507.612 4.541 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864017525 OFCVZYQLGYIIQI-SANMLTNESA-N 524.621 4.680 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864018627 PJTVCNZNWPSTBH-VWLOTQADSA-N 534.632 4.968 10 10 KJCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)C1 1865031508 IOJFWPVDKQDXCR-ORAYPTAESA-N 548.949 4.909 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(F)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873162397 TTXRCJBCMOULFY-UHFFFAOYSA-N 503.618 4.961 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCc3nc4ccccc4[nH]3)C2=O)cc1 1873164576 IBSMFULKDWFTKC-UHFFFAOYSA-N 545.643 4.962 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1OC 1873418391 GLZAWEUDATUTMB-UHFFFAOYSA-N 508.578 4.899 10 10 KJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 2294229289 GRULHIJSYZFBDK-UHFFFAOYSA-N 501.608 4.921 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccco1 2296944963 VXDQQLPBRFDPEP-UHFFFAOYSA-N 521.942 4.613 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 2313683689 RNNARXSBXYCHMB-UHFFFAOYSA-N 519.529 4.775 10 10 KJCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314413754 GUBUTOGKABCKIJ-UHFFFAOYSA-N 560.705 4.500 10 10 KJCE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 2314476888 XOTWISXSRYQEPN-DNRQZRRGSA-N 624.810 4.717 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(NC4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33928302 NFCFOJNQUQODKX-RCCKNPSSSA-N 506.653 4.849 10 10 KJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1C 102841400 BXBOVIIMOZROOB-KOEQRZSOSA-N 529.666 4.804 10 10 KJCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864009238 CRQCMMLJGFLAET-QUGAMOGWSA-N 516.642 4.710 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864009755 CZFBWGYFMJZZNV-VWLOTQADSA-N 534.657 4.562 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865033800 IKFJPPYMGZFUHH-FQEVSTJZSA-N 548.537 4.844 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867620212 AVLNHSCJYWWZQV-NWWLCHBLSA-N 609.771 4.791 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873168365 SJAVMSZJUZANML-UHFFFAOYSA-N 532.648 4.774 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1Cl 1873426021 RYWIHBKEBKAOLT-UHFFFAOYSA-N 533.072 4.970 10 10 KJCE CCOc1ccc(CC(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874719716 YHBLAHFYDSAVOQ-UHFFFAOYSA-N 501.627 4.670 10 10 KJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](O)c3ccc(Cl)cc3)ncnc21 1875206436 XDCJNXSECWBEOC-SANMLTNESA-N 549.075 4.611 10 10 KJCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S 2296706704 KTKGJOCCIPRTRP-KRWDZBQOSA-N 540.114 4.674 10 10 KJCE N=C1C(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)N=C2SC(SCCOc3ccccc3)=NN12 2297346822 JKEDPJYFMDDUQY-UHFFFAOYSA-N 518.580 4.774 10 10 KJCE COc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c1C 2297469661 CZJXLAUNHRJLNG-UHFFFAOYSA-N 539.061 4.778 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)c1C 2313549403 VIYDGEFBYHAIBO-UHFFFAOYSA-N 510.300 4.901 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(I)cc1 2313558901 MOFQTBPDFDYFHB-UHFFFAOYSA-N 542.304 4.676 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778120 MLTASBVCUXQNKI-PKAZHMFMSA-N 519.667 4.639 10 10 KJCE CCCC(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 101357177 KJESOBONTFISBF-QFIPXVFZSA-N 536.698 4.800 10 10 KJCE CCOC(=O)c1c(NC(=O)Cn2c(C)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c3ccccc32)sc2c1CCCC2 101936512 OCOONJZCVRYTLP-MTJSOVHGSA-N 597.740 4.991 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4CCCCC4)=NC3=O)c2)C[C@@H](C)O1 110558438 FBQSOFZRIPFBJZ-RLZFMFFCSA-N 591.759 4.793 10 10 KJCE CC[C@@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccc(OC)c(OC)c2)SC1=S 143239478 NAUGSBXQARMBJR-GMPVXANTSA-N 540.711 4.720 10 10 KJCE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)c1 606672046 LXTRPHQECCINGR-ZSRGTNOTSA-N 527.627 4.999 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019513 KUFJGUAMHHWJCO-VWLOTQADSA-N 545.039 4.878 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865030438 JUJGXFDNKBWQAJ-GAKIBJFNSA-N 534.632 4.633 10 10 KJCE 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536.072 4.624 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969836 USVXKHHLYQGSSK-HXUWFJFHSA-N 517.033 4.998 10 10 KJCE CCn1cc(OCCOc2ccc(C(C)(C)C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870592655 RRDHIZANWXSHBL-UHFFFAOYSA-N 519.686 4.954 10 10 KJCE CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(OC)cc4)c(OC)c3)C(=O)N=C2S1 2293665822 GJMQKCLGCQCABI-UHFFFAOYSA-N 508.600 4.971 10 10 KJCE CCOc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2293880485 PDRRVGGXVULFDS-UHFFFAOYSA-N 542.376 4.666 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(c5ccccc5F)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314414933 RIFABXAPKXTMFG-UHFFFAOYSA-N 645.782 4.930 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3c(F)cccc3Cl)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101283131 QQMYJXVWOJAKOL-PVFDWLMNSA-N 597.155 4.685 10 10 KJCE CCCOc1c(I)cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OC 102577412 BZYKAJZBDKLKRD-GDNBJRDFSA-N 560.460 4.696 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 102687998 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O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 2296024864 UXNRIUFWQPRKNT-UHFFFAOYSA-N 540.066 4.900 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)C2=O)cc1 101196098 LQVBDNXICQUHTE-YVLHZVERSA-N 532.669 4.818 10 10 KJCE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)SC1=S 110559301 JTFVQSMXIJWCFW-GGVNPZCGSA-N 582.773 4.808 10 10 KJCE CN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)SC1=S 211935324 KXVYIIJOJREVTL-FYJGNVAPSA-N 536.704 4.550 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Sc4ccc([N+](=O)[O-])cc4)cc3)c2C)C(=O)NC1=S 1084584611 WJPRPTOPAUIULX-HMAPJEAMSA-N 506.609 4.800 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NC24CC5CC(CC(C5)C2)C4)[C@H]3c2ccc(O)c(O)c2)cc1 1864011503 IPTLLCGFYZDNRH-IALHBCRKSA-N 540.664 4.739 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2cccs2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864015267 NRGRJCKCDPUTPC-LJQANCHMSA-N 542.539 4.683 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865186901 BHFFVJICYPJCEO-MHZLTWQESA-N 543.712 4.852 10 10 KJCE CC[C@@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866997707 TWICIFMCABKMRH-GJZUVCINSA-N 528.605 4.752 10 10 KJCE COc1cccc([C@@H](C)CC(=O)N[C@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867109351 BLFBSIABEMHGJI-AVRWGWEMSA-N 530.646 4.841 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867503088 NSSRVMGGVIUZCO-KKLWWLSJSA-N 653.824 4.842 10 10 KJCE CC[C@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867754031 SBDQNRWVGAHAJV-GOTSBHOMSA-N 535.516 4.920 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867792414 VBYORMMVYSQYGI-AFPLUKJUSA-N 674.868 4.873 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4ccccc4C)n3)CC2)cc1 1869155144 DYDJLHXJGATBOD-SSEXGKCCSA-N 552.654 4.604 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCNC(=O)[C@@H]3c3ccc(F)cc3)n2)cc1 1869335390 LUGWJZQRKZPZBF-HKBQPEDESA-N 582.680 4.694 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4cccnc4)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871503836 IVVXLUSYORSCOQ-UHFFFAOYSA-N 510.646 4.503 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 1873167398 FOBUXIGMUQHACO-UHFFFAOYSA-N 514.645 4.979 10 10 KJCE CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C=C3C(=O)N(c4ccc(Cl)c(Cl)c4)C(C)=C3C(=O)OC)o2)cc1 2293394474 FKPANLRFGWCBDY-UHFFFAOYSA-N 626.449 4.895 10 10 KJCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 2296716969 ODEUHOYCJSUCNC-IAGOWNOFSA-N 508.644 4.717 10 10 KJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)nn3)cc2)cc1 2313683677 QRECQXBFDPMLQK-UHFFFAOYSA-N 620.047 4.985 10 10 KJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1C 2314509146 SNIHVXJORWTFOL-SFHVURJKSA-N 507.637 4.792 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCCCC1 2314765048 SLPLOMAAMPIGKU-UHFFFAOYSA-N 560.097 4.676 10 10 KJCE O=C(CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)Nc1ccccc1 2314842224 IPARKEMIRPLLLU-UHFFFAOYSA-N 528.247 4.757 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 2376906 KGLMCJBXQFWOLL-RXULLKCLSA-N 539.704 4.635 10 10 KJCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989771 FORQGYAAWLFOFU-YMNHORQBSA-N 520.724 4.975 10 10 KJCE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 101013532 NXYZYEPOFMVCLH-XQGNUGGCSA-N 582.773 4.950 10 10 KJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 101062330 SWWAHWBASYYCSW-LPYMAVHISA-N 529.599 4.925 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1083892494 NUGXKMILCFQACV-ODLFYWEKSA-N 532.465 4.587 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 1084589370 BNLYTBGOLQBMAI-UYRXBGFRSA-N 521.526 4.543 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864011264 SJSLYWIQVSATLZ-DEOSSOPVSA-N 531.012 4.900 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864017280 JEIQVNCMTRFOKG-HSZRJFAPSA-N 547.011 4.654 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029547 PSKHLUHPDFCKNU-XMMPIXPASA-N 502.615 4.642 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865031093 YXAUCBMZNIWTNK-DFBJGRDBSA-N 516.642 4.557 10 10 KJCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc(C)c(-c4ccccc4)c3C(=O)OC)CC2=O)cc1 1865925836 SHBYCWGQBYGZRD-IBGZPJMESA-N 506.580 4.678 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(C)c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867823124 QMYAVEUZVBLYHG-ACHIHNKUSA-N 570.734 4.671 10 10 KJCE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(C)cc3)n2)C[C@H]1C 1869164989 DXEABLJLXCLBQH-CLJLJLNGSA-N 544.744 4.723 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873162286 ODGQLIDNXXSTDE-UHFFFAOYSA-N 546.675 4.785 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1OC 2314397582 ZMSRQHMCDHCEIL-UHFFFAOYSA-N 535.599 4.907 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccco1 2314476294 MEDHAJADQRQZDQ-UHFFFAOYSA-N 592.724 4.555 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)S2)CC1 2314476703 UEZRHEXNKXJKNH-GOTSBHOMSA-N 663.822 4.583 10 10 KJCE CC(C)CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3sc4c(c3C(N)=O)CCCC4)cc2)SC1=S 2331595136 RINPXLVMOHWVJD-UHFFFAOYSA-N 529.709 4.601 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 6227403 UGTRTTKUPGZLNN-LCQSEVKBSA-N 586.670 4.649 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCCC[C@@H]4C)nc4c(C)cccn4c3=O)SC2=S)cc1 33804034 YSKUZCJCRLVGGF-CEZZIEKDSA-N 520.680 4.792 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885959 NFHGPKOTUBGHLX-KXWSDFAKSA-N 600.770 4.689 10 10 KJCE COc1cc(/C=C2\SC(=S)N([C@@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 101974632 TXLITSHGQKHRMG-UUMRFZBWSA-N 589.091 4.511 10 10 KJCE N=C1/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 103606339 DKQAITBGJJAUCC-UFTGVOQFSA-N 536.013 4.581 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@H]2c2ccc(N(C)C)cc2)cc1 526624110 ABIOGDXLOJNYAA-HHHXNRCGSA-N 502.567 4.543 10 10 KJCE COc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1084641991 IEPKNUAASMGWSA-SDQBBNPISA-N 559.008 4.649 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5cc(Cl)c(OC)c(OC)c5)[nH]c4c3)CC2)cc1 1861868198 DRQXWDIFXXZKAE-UHFFFAOYSA-N 506.990 4.872 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 1864008766 RSTDRAIFMBYGEM-RUZDIDTESA-N 531.012 4.873 10 10 KJCE COc1ccc([C@@H](C(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1 1867004097 MIPFSSDTNNTZCL-QYBDOPJKSA-N 510.590 4.888 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C/C=C/c5ccccc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004198 OGMMKQOVRHOJNQ-RMKNXTFCSA-N 547.707 4.709 10 10 KJCE Cc1ccc(OCCOc2cccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1 2293140395 FTDNAMBFVYBNDN-UHFFFAOYSA-N 521.367 4.882 10 10 KJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccc(C(=O)O)cc1 2313560638 AOQRGODPSVLFMH-UHFFFAOYSA-N 537.391 4.558 10 10 KJCE CC1=NN(c2cc(C)c(C)cc2Br)C(=O)/C1=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 27570748 SBRXBWIRNSEWIM-UNOMPAQXSA-N 514.401 4.779 10 10 KJCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 33473133 KXRUYHLGDDCGSQ-LPYMAVHISA-N 510.660 4.825 10 10 KJCE O=C(O)COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 59815038 FYZWNQWYQAEUQJ-LPYMAVHISA-N 555.033 4.929 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc1OC 101743915 PXWPSIAYJCSVIJ-XDHOZWIPSA-N 612.955 4.905 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 103849340 ITSWTWXDJANVFC-NVMNQCDNSA-N 539.313 4.562 10 10 KJCE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526601386 BFDYGHNWDIIENQ-XMMPIXPASA-N 504.514 4.522 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)c(I)c1 1084281823 RWSMAIFCOTVEIZ-WQRHYEAKSA-N 560.294 4.815 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864009935 FXMWVLMAOFLCGO-QFIPXVFZSA-N 537.041 4.962 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2cccnc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864013762 FQLKDUDSNCLVPB-AREMUKBSSA-N 545.599 4.665 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H]4C(=O)NCc4ccccc4)nc(Cc4ccccc4)n3)CC2)cc1 1869061171 KCTFQFZZQPITAA-PMERELPUSA-N 562.718 4.688 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869171886 HHTIAYOEDVLNPW-NDEPHWFRSA-N 522.653 4.760 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4C[C@@H]4c4ccccc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869970915 SMEDGGPMJXWPSM-YADHBBJMSA-N 509.054 4.764 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 2313560250 NZQRASWQBFDJQW-UHFFFAOYSA-N 555.381 4.697 10 10 KJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1cc(OC)c(Cl)cc1OC 2313683308 WXQQCZYIZQZKIL-UHFFFAOYSA-N 500.964 4.619 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 105515321 ZRSVWICCOXRCOZ-KEPJHFNWSA-N 571.699 4.531 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccccc1 110556527 PNSSRYZTUYTUTN-ZXVVBBHZSA-N 602.763 4.962 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(Cc4ccccc4F)n3)CC2)cc1 1862338067 ICKBHCDYLXPQNS-UHFFFAOYSA-N 500.574 4.717 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864007226 ICRINQMQQDJCKB-FAHJTYSBSA-N 509.006 4.635 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008160 DPDXJCNYMHOKIS-QYBDOPJKSA-N 510.594 4.531 10 10 KJCE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CC2)[C@H]3c2ccc(O)c(O)c2)c1 1864016731 WLBLJTLVCQTTGD-VWLOTQADSA-N 522.605 4.600 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@H]2c1ccc(O)c(O)c1 1865031371 FLGMOBONKOGKKT-SANMLTNESA-N 536.632 4.897 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865342782 DMJIUGRCCBFULD-DEOSSOPVSA-N 535.714 4.523 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(Br)cc1 1866239050 CBBULPQVVCXEJN-MRXNPFEDSA-N 568.490 4.760 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](c5ccc6c(c5)OCO6)C4)nc(C(C)C)n3)CC2)cc1 1869101674 LQSUDBFEHWWNTO-JOCHJYFZSA-N 501.631 4.658 10 10 KJCE 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515.610 4.664 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013305 VQSGYBZIXBTXAK-XMMPIXPASA-N 548.640 4.549 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030150 DNGCZBZVWUXIQD-AREMUKBSSA-N 542.611 4.787 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033299 WLUWOZWCYHRDRY-QFIPXVFZSA-N 509.006 4.597 10 10 KJCE CCc1sc(NC(=O)CN2C(=O)COc3ccccc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866041523 SXBGJYKXLUWOQE-UHFFFAOYSA-N 557.422 4.527 10 10 KJCE Cn1nc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867241786 ZCBFYLLGDZDBRJ-DEOSSOPVSA-N 562.557 4.574 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(CC(=O)OC(C)C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427442 NPZUTXNVFMGKNU-UHFFFAOYSA-N 554.691 4.874 10 10 KJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccccc1OCc1ccccc1 2297468200 IMFOHEKMBCHBPU-UHFFFAOYSA-N 500.580 4.966 10 10 KJCE CCN1C(=O)C(=Cc2cn(CCOc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509010 JIXGFOMJWDWZCK-UHFFFAOYSA-N 575.662 4.787 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)CC1 2314476545 QIZIOHNLFFSRQN-SANMLTNESA-N 666.847 4.883 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)ccc1OCC(=O)Nc1ccccc1Cl 36612906 KSYXHEUITXURLJ-DEDYPNTBSA-N 519.941 4.870 10 10 KJCE CN(C)c1ccc(/N=N/c2ccc(C(=O)O[C@@H]3O[C@H]([C@@H]4COC(C)(C)O4)[C@H]4OC(C)(C)O[C@H]34)cc2)cc1 38529372 ZYXAACXIHFJWBL-VCEBBGIVSA-N 511.575 4.721 10 10 KJCE CCCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 40938218 YZGPNKLLDBGTJD-MRCUWXFGSA-N 501.029 4.802 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 100880691 FNGLFZDAGHDABR-HAVVHWLPSA-N 551.713 4.860 10 10 KJCE CCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 143233511 YTIYEFKHLBXYGS-ITYLOYPMSA-N 610.765 4.907 10 10 KJCE CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210748167 OQZMQYLWCIKUQD-YORPJTJESA-N 529.709 4.681 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Br)c1OC 1084610989 NQAVRXZDGOSGIW-ZSOIEALJSA-N 552.219 4.902 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2cccs2)=C(N)O3)cc1 1864017306 JKXGZRQMLILBAX-HSZRJFAPSA-N 546.649 4.698 10 10 KJCE COC(=O)c1c(NC(=O)c2c[nH]c3ccc(N4CCN(C)CC4)cc3c2=O)sc(C)c1-c1ccc(C)cc1 1866442860 KJZQPODNYOXYGH-UHFFFAOYSA-N 530.650 4.664 10 10 KJCE Cc1[nH]nc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1-c1ccccc1 1867277388 RZMHMXYHQCZEHO-HHHXNRCGSA-N 570.605 4.846 10 10 KJCE CC[C@@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867707005 LYLBLPHHHVCZRY-IZLXSDGUSA-N 508.707 4.639 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccc(CC)cc3)C2)n1 1869223263 GRHQWDSNIWRVRC-MHZLTWQESA-N 501.675 4.905 10 10 KJCE CC(C)COC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 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COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cccc(C)c1 33738873 RGEPLJWWJDCHNF-AHXGQMSJSA-N 513.579 4.524 10 10 KJCE CCOCCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 39835668 DVAREECXDMRVJO-NBVRZTHBSA-N 502.017 4.768 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)cc1 101082972 QMVAGUJASHSNOL-OAQYLSRUSA-N 547.471 4.762 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526631300 YMNUMFJMFGJDHH-RUZDIDTESA-N 523.538 4.588 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864014054 MGKXVNXIAJMXLW-NSYGIPOTSA-N 512.610 4.999 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865026772 RPPJOZJEQKJOID-OWWKKJFISA-N 541.023 4.643 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(-n3cccc3)cc2)N2CCCCC2)cc1 1867760788 BSELIGJZBQEICW-SAIUNTKASA-N 579.745 4.933 10 10 KJCE 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4.505 10 10 KJCE CC(=O)Nc1ccc(OCCn2c(C)c(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1 2297347325 ILOSYSCUXAUGAB-UHFFFAOYSA-N 540.551 4.793 10 10 KJCE COc1ccc(N2CCN(C(=O)CC[C@H](C)[C@@H]3CC[C@H]4[C@H]5[C@H](C[C@@H](O)[C@]34C)[C@@]3(C)CC[C@H](O)C[C@@H]3C[C@H]5O)CC2)cc1 2297629327 VFIVHNCRWMNYMI-URYPWGCISA-N 582.826 4.722 10 10 KJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 2313681741 MGWVTSURYLTVOO-UHFFFAOYSA-N 520.571 4.679 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1 2314817655 IEOJRTCYMKYVOF-UHFFFAOYSA-N 520.636 4.854 10 10 KJCE CCc1ccccc1NC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 2326945181 GDFABBWTFUYQKX-UHFFFAOYSA-N 507.637 4.908 10 10 KJCE COc1cc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4c(Cl)cc(Cl)cc4Cl)N=C3C)cc2)nc(OC)n1 100374195 SWPXRRXYZBCPJH-LFIBNONCSA-N 597.868 4.973 10 10 KJCE COc1cc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 105025437 SCMSHMSVBJIHIM-UDWIEESQSA-N 560.775 4.994 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 105151327 SZTVPHNQYQHBDH-QJOMJCCJSA-N 528.659 4.759 10 10 KJCE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 207308637 MFUKVSIGULMUFB-ZRZWOPFXSA-N 605.779 4.606 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526567603 PMSUSJBEJSUCFY-RUZDIDTESA-N 504.539 4.767 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc(OC)ccc2OC)sc(C)c1-c1ccc(OCC)cc1 1860747997 FMYSHLIJCKKRGH-UHFFFAOYSA-N 512.584 4.893 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865032823 LRNCDJMYGARYOJ-XMMPIXPASA-N 534.657 4.969 10 10 KJCE CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865894527 PMTYLYWCCNLNGP-INIZCTEOSA-N 840.963 4.947 10 10 KJCE Cc1cc(Br)cc2c(=O)c(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c[nH]c12 1866459974 GOBCVABKEHZNRA-HSZRJFAPSA-N 511.464 4.622 10 10 KJCE COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867745375 BWDPAUZYHQWYBQ-HTAPYJJXSA-N 521.489 4.530 10 10 KJCE CC[C@](C)(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867767068 DJAGWLAPYKCHLE-SQHAQQRYSA-N 530.069 4.556 10 10 KJCE CC(=O)NCCN1C(=O)C(NC(c2ccccc2)c2ccccc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873169842 YPLOYDOAJRHXSE-UHFFFAOYSA-N 532.644 4.689 10 10 KJCE CC[C@H](C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S 2296540695 HQAYDDOXTMGHGB-KRWDZBQOSA-N 526.709 4.789 10 10 KJCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 2296714162 APFWXSNIRYZNQQ-UHFFFAOYSA-N 517.607 4.891 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1F 2313559288 VQPZPGQQNFEDNM-UHFFFAOYSA-N 606.388 4.988 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(Cc5ccccc5)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314414835 NXZBXELBDHHQAF-UHFFFAOYSA-N 597.766 4.735 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1OC 2314765266 YYZYTZFSXMJIER-UHFFFAOYSA-N 558.273 4.775 10 10 KJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2314832047 YNCYNVVBADJLML-UHFFFAOYSA-N 527.506 4.972 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccccc4)S3)[C@@H](c3ccc(N(C)C)cc3)C2)cc1 54201753 LDBFYRMOAGFNMN-CLJLJLNGSA-N 527.650 4.939 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCC(=O)O 59815868 RMNBCVPQFOXZMP-MFKUBSTISA-N 578.668 4.982 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CCN3C(=O)/C(=C\c4ccc(OC)cc4)SC3=S)C2=O)cc1 101476691 AXXXGXKVKCYFHK-IWGRKNQJSA-N 528.702 4.806 10 10 KJCE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 110526737 VSNRILAXJUHTBK-UQQQWYQISA-N 559.717 4.759 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 205611432 ADDKWBWOKGXIGU-MQHZAWOVSA-N 539.723 4.560 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCC(=O)O 210939646 RMNBCVPQFOXZMP-MYYYXRDXSA-N 578.668 4.982 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864013632 DWOGHVSTXAHMLO-XMMPIXPASA-N 510.594 4.870 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865026373 MRKMKMYYCHDBGV-QHCPKHFHSA-N 511.022 4.648 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865031161 AHQIMZFNWBZUQN-QGZVFWFLSA-N 522.911 4.519 10 10 KJCE NC1=C(C(=O)N2CCCc3ccccc32)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865031230 BYDYFXROAZRPJV-JOCHJYFZSA-N 548.521 4.976 10 10 KJCE COc1ccc(C2=NN(c3cccc(Cl)c3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665546 ZKAPAIYIADYYDV-NLRVBDNBSA-N 548.039 4.903 10 10 KJCE CCOC(=O)c1c(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc(C)c1-c1ccc(Cl)cc1 1866024891 GWZKRTXNDHDRIC-UHFFFAOYSA-N 527.942 4.697 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(-n3cccc3)cc2)N2CCCCC2)cc1 1867760785 BSELIGJZBQEICW-CZNDPXEESA-N 579.745 4.933 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 1867846960 RRRAUIKEWSLLGF-WDYNHAJCSA-N 588.665 4.692 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](C)NC(=O)C[C@@H](c3ccccc3)c3ccc(OC)c(Cl)c3)CC2)cc1 1868963253 UWGHZZIHYHCKLN-RLWLMLJZSA-N 536.072 4.733 10 10 KJCE COCCCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870927494 FXTZIYVKFRAEMJ-UHFFFAOYSA-N 518.658 4.878 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873167347 CAQFJSZDBYSAIG-UHFFFAOYSA-N 526.681 4.719 10 10 KJCE COc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(C)C)C1=O 1873421009 BVOHAUFFKYPKDB-UHFFFAOYSA-N 507.034 4.900 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 2296545451 RPOACXUIYJQQRZ-LJQANCHMSA-N 560.122 4.980 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 2297468226 XTFSTEQYVAQKHZ-UHFFFAOYSA-N 511.563 4.675 10 10 KJCE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1Cl 2314506917 GTWLDESMRIRNDC-UHFFFAOYSA-N 530.027 4.823 10 10 KJCE 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CCOC(=O)c1c(NC(=O)C(Cc2ccccc2)=C2SC(=S)N(C)C2=O)sc2c1CC[C@H](C)C2 2314488129 JFTRIAPPBUQATJ-AWEZNQCLSA-N 514.694 4.975 10 10 KJCE COC(=O)[C@@H]1C[C@@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1ccccc1O 14994336 DMIKRDJFPVRTPO-OFNKIYASSA-N 503.986 4.740 10 10 KJCE COc1ccc(N2CCN(C(=O)CSc3nc4ccccc4nc3Cc3ccc(F)cc3)CC2)cc1 33068880 RZROFMXQFHWQQI-UHFFFAOYSA-N 502.615 4.809 10 10 KJCE O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S 33567744 WXSHDGCXJHINHP-CHJAJTDHSA-N 505.879 4.748 10 10 KJCE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 40066817 WBGRZFUBNFSKRL-MFLNWZAWSA-N 524.668 4.779 10 10 KJCE CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 101013137 CYSOVKVCCLWDIQ-PLRJNAJWSA-N 582.773 4.952 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C\c3cc(OC)c(OCCOc4cccc(C)c4)c(OC)c3)C(=N)N12 101348295 SZPQQRMGJXHPKT-QLSUFNALSA-N 526.640 4.800 10 10 KJCE CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 104881648 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CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 100746628 FSOIXRXMPZUADM-AYTQJLEDSA-N 555.700 4.806 10 10 KJCE CC[C@@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 100851026 PZLLUCYEJZQUHK-QNDYCBLQSA-N 548.690 4.902 10 10 KJCE O=C(O)CCCCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3ccccn3c2=O)SC1=S 101061753 QRICUVHDEZUPOM-NBVRZTHBSA-N 530.027 4.986 10 10 KJCE CC[C@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 105642885 GKSLJJVPGGJXNB-JHGYQWQCSA-N 600.770 4.975 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 109953889 PKXCBSUNVJJXFC-DIBXZPPDSA-N 615.756 4.921 10 10 KJCE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 110527250 DUXWTMBBCBMVTE-XYGWBWBKSA-N 577.707 4.899 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 150598980 RIFABXAPKXTMFG-USHMODERSA-N 645.782 4.930 10 10 KJCE CCN1C(=O)C(=c2sc(=C/C=C3\Sc4ccc(-c5ccccc5)cc4N3CC)c(=O)n2CC)SC1=S 252636680 XKNPFTBNNIIILG-FAVWBMTFSA-N 551.784 4.839 10 10 KJCE CC(=O)N[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-] 256011463 XOOBJDMHDWWHLZ-FYYQJAJYSA-N 516.598 4.914 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc1OC 526158264 PWJFGBYXKVZTIK-SANMLTNESA-N 505.523 4.724 10 10 KJCE Cc1ccc2nc(N3CCCC[C@H]3C)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 1772721317 HYZMVJNMLRXFTF-CCQQXMDGSA-N 586.743 4.585 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(C)CC2)=C(N)O3)cc1 1865032939 OHXKYPQEVKTDQJ-XMMPIXPASA-N 532.641 4.579 10 10 KJCE CCOC(=O)C1=C(C)C(C(=O)OC(C)C)=S=C1NC(=O)c1ccc(-c2ccc3cnccc3c2)cc1 1866180800 BBZVLOQLABTNHD-UHFFFAOYSA-N 502.592 4.512 10 10 KJCE Cc1ccc(NC(=O)COc2cn(CCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871159438 KYMYMKMYLXRCST-UHFFFAOYSA-N 512.610 4.912 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccccn4)nc(Nc4ccc(C(C)C)cc4)[nH]3)CC2)cc1 1871507125 PAPQGVAJIWAXRO-UHFFFAOYSA-N 510.646 4.503 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)c1C 2313549259 RAFYGFOQVPWSIF-UHFFFAOYSA-N 544.383 4.871 10 10 KJCE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)(C)C)c3c(OC)cccc32)S1 59475581 QPIZJMIHDRWEES-UHFFFAOYSA-N 521.682 4.943 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 101013730 XOTWISXSRYQEPN-KRIDSTHSSA-N 624.810 4.717 10 10 KJCE CCCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 103814407 HPBGBCIZQCTNMX-OQLLNIDSSA-N 552.219 4.984 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864007435 MSQXVPRMNOKREO-QHCPKHFHSA-N 537.403 4.910 10 10 KJCE NC1=C(C(=O)NC2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccn3)c2O1 1864015764 FEINLIPGNRCFPT-RUZDIDTESA-N 537.620 4.879 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865026261 LDXHEHXPKJJXBR-VWLOTQADSA-N 522.621 4.914 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2O1 1865034315 TUVJDKYDSWCTRO-LJQANCHMSA-N 548.949 4.722 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867836925 YITDGFCNGCCVMG-OFSOJUDTSA-N 620.682 4.701 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(-c4ccccc4C)n3)CC2)cc1 1869154561 FEOXTCLTGXTGAF-XIFFEERXSA-N 587.728 4.956 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2314413878 JZVAEUCIFJAXMR-OALUTQOASA-N 600.770 4.689 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCC4)c3)S2)CC1 2314476226 LBIOYOAGKBXEES-UHFFFAOYSA-N 619.769 4.569 10 10 KJCE O=C1N[C@H](c2cc(Br)cc(I)c2O)Nc2sc3c(c21)CCCC3 35668818 MXHCCSHSXVZWML-AWEZNQCLSA-N 505.175 4.554 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 100860256 PHRQRIZMGLTNQV-XIEYBQDHSA-N 587.702 4.570 10 10 KJCE CN(C)c1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(Br)cc2)cc1 101316035 POBJLQVZMVPXGN-QHCPKHFHSA-N 574.273 4.954 10 10 KJCE CC(C)CN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 110556957 ABOJRFXTXGQRJI-HYARGMPZSA-N 526.709 4.647 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015071 IZTHNCLZNJHLOK-KZULUSFZSA-N 536.938 4.624 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3cccc(OC)c3)c(C)cc2=O)sc(C)c1-c1ccc(C)cc1 1866286302 GURJQXAKVWGFJJ-UHFFFAOYSA-N 503.580 4.934 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3ccc(N4CCCCC4)cc3c2=O)N2CCCCC2)cc1 1866465039 XMGLQKNZXZNCFZ-MUUNZHRXSA-N 501.675 4.541 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)OC(C)(C)C)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867989908 ALDIPXPLVMRXBI-UHFFFAOYSA-N 560.699 4.545 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5cccc(C)c5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004833 QZHMDTRJFHFRCC-UHFFFAOYSA-N 535.696 4.504 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1C 2296073480 GLYQCYURFKIXBV-UHFFFAOYSA-N 527.606 4.914 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccc(C)cc1 2297469364 YRKFWDQMOWNBJL-UHFFFAOYSA-N 531.981 4.939 10 10 KJCE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC 2297624592 HSEDDMYEXYAGMA-UHFFFAOYSA-N 553.793 4.584 10 10 KJCE CC(=O)Nc1ccc(-c2ccc(NC(C)=O)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O 29748444 WQWRPZSXWFDADS-UHFFFAOYSA-N 528.520 4.821 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCCCC3)nc12 33473039 JYODSFFUDYRGSV-RCCKNPSSSA-N 508.644 4.924 10 10 KJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c1 39835855 JIAYUSXUHUMBGM-HMMYKYKNSA-N 523.636 4.950 10 10 KJCE COc1ccc(N2CCN(C(=O)C[C@@H](c3cc(OC)cc(OC)c3)c3cnc4ccc(Cl)cn34)CC2)cc1 98020005 WGTYUPNPDFAPDC-SANMLTNESA-N 535.044 4.884 10 10 KJCE Cc1ccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)cc2Cl)cc1 102479637 PJPGVCMOXTYYSQ-UNJPEWJUSA-N 522.030 4.859 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 150439113 DEJYZWHEGKNHQI-MTJSOVHGSA-N 632.170 4.843 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c2)CC1 150448102 QIZIOHNLFFSRQN-YBNKYOMYSA-N 666.847 4.883 10 10 KJCE O=[N+]([O-])c1ccc(O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4cc([N+](=O)[O-])ccc4O)c(O)c3c2O)c1 254738646 IBUQSYBHODCIAE-UHFFFAOYSA-N 650.516 4.803 10 10 KJCE COCCN(Cc1c(O)ccc2cc(-c3ccc(OC)cc3)c(=O)oc12)C[C@H]1CCCN2CCCC[C@H]12 1614472444 IYVMPFMFBOARDP-YIXXDRMTSA-N 506.643 4.887 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865028485 VZFYLDLPZDSKCI-VWLOTQADSA-N 520.630 4.724 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc(-c3ccco3)on2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866642353 XERUSTMIGKBFNY-RUZDIDTESA-N 589.560 4.615 10 10 KJCE 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SDXUZCDXICYHDL-UDWIEESQSA-N 514.028 4.999 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016558 SJWYFTWSVMXTGQ-HSZRJFAPSA-N 502.615 4.905 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864020079 VNOBKILKEDMJIS-QHCPKHFHSA-N 525.049 4.950 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665366 PLKRIXHBKPAORN-XLNRJJMWSA-N 525.527 4.908 10 10 KJCE CCCCCCOc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867557288 ZSFATUQHJYAVDA-NDEPHWFRSA-N 508.707 4.785 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867627777 YJZDNXDKHDXQFM-FSEITFBQSA-N 715.851 4.729 10 10 KJCE COc1c(Cl)ccc(Cl)c1C(=O)N[C@H](C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867745377 BWDPAUZYHQWYBQ-VGOFRKELSA-N 521.489 4.530 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867918480 CLLRFPAKSFAUDK-ZPGRZCPFSA-N 705.812 4.752 10 10 KJCE CCOCCCn1cc(OCc2c(C)cccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870489178 GHIUZGDJGXRFAL-UHFFFAOYSA-N 519.686 4.802 10 10 KJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165793 VLDZYZVPVFOUQX-MHZLTWQESA-N 541.648 4.710 10 10 KJCE CCN(CC)CCN1C(=O)C(NCc2cccc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170962 YIBGKRDQZFJBHD-UHFFFAOYSA-N 505.062 4.959 10 10 KJCE COc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1[N+](=O)[O-] 1873961210 KXXOPQHPNYCHAZ-UHFFFAOYSA-N 509.522 4.520 10 10 KJCE COc1ccc(OCCn2cc(C=C3C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c3ccccc32)cc1 2295914229 WIRWSGSTKPNJLQ-UHFFFAOYSA-N 513.501 4.910 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 261366799 UDYJNIAKTAWWHU-ZKFWHCFNSA-N 520.680 4.579 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)c1 526140908 OLGIFWIEYMWMQR-DEOSSOPVSA-N 513.930 4.843 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012316 XMXQBIUDEHPHIE-DEOSSOPVSA-N 523.033 4.838 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864013225 TWTJPFQXZSSMNI-QLWBXOBMSA-N 516.642 4.685 10 10 KJCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864023162 UWBWPZHHKRSVBN-GOSISDBHSA-N 508.541 4.647 10 10 KJCE Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865027838 MEEIVIZIUGDZHJ-HHHXNRCGSA-N 524.621 4.783 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865030224 GJFPDCJPBTVASR-AFMDSPMNSA-N 530.669 4.865 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031765 NSNTVPIJUNFNJG-WZONZLPQSA-N 502.615 4.570 10 10 KJCE COc1ccc(-c2nn(C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@@]4(C)C[C@H]2CC(C)(C)C4)=C(N)O3)cc1 1865033466 AKNFDYLIBJBXRT-IVMAQAQPSA-N 544.652 4.629 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc21 1867059845 XMKXKZSGUKFRPU-GTNKKZTPSA-N 514.581 4.932 10 10 KJCE CSCC[C@H](NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867282193 ZURCFBXEQCCOCF-QHCPKHFHSA-N 538.629 4.651 10 10 KJCE CC[C@](C)(NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867535188 OFVVNKHOBYIMBA-BIMVPBQRSA-N 595.744 4.795 10 10 KJCE CC[C@@](C)(NC(=O)[C@@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868886900 QIQWMNQQPZELEB-POURPWNDSA-N 507.675 4.611 10 10 KJCE C[C@@H](O)Cn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871067936 RRPXDIFXVWXVPH-JOCHJYFZSA-N 513.594 4.707 10 10 KJCE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873419945 RPHWVXXIIRTVDV-VWLOTQADSA-N 512.610 4.814 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)cc1 2296538491 RUWQJCDNCGMDHW-UHFFFAOYSA-N 595.706 4.554 10 10 KJCE CN1C(=CC=c2sc(=C3SC(=S)N(N)C3=O)n(-c3ccccc3)c2=O)C(C)(C)c2cc(-c3ccccc3)ccc21 2297550624 BFERXDHIMVOVBS-UHFFFAOYSA-N 582.776 4.500 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccc(F)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 2331393085 NVVOIKUSRSPIJG-UHFFFAOYSA-N 512.589 4.702 10 10 KJCE COc1ccc(N2CCN(c3oc(-c4ccccc4C)nc3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 39844642 KNEGKNYOFGIVIJ-UHFFFAOYSA-N 507.587 4.957 10 10 KJCE COc1ccccc1OCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OC 101470602 JJHCKNHGCMLUGS-HMMYKYKNSA-N 567.392 4.591 10 10 KJCE CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143312427 IEADGIUJDNYLNX-QRVIBDJDSA-N 582.704 4.625 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864009994 HPMAVUPXJQCKJK-REIDKSKDSA-N 502.615 4.626 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864011641 WYZSCMMWOZULCO-VWLOTQADSA-N 545.039 4.943 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864023096 UKVOEWHGGLGPLE-IBGZPJMESA-N 520.552 4.670 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865033520 BMYIKYICXOGZFN-QZTZHPFYSA-N 532.641 4.579 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4c(F)cccc4Cl)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970687 VONDMYQUFLKJOK-UHFFFAOYSA-N 520.996 4.956 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3Cc3ccccn3)CC2)cc1 1870770012 SKCANUGNAMXBGS-UHFFFAOYSA-N 510.638 4.510 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4cc(Cl)cc(Cl)c4)[nH]3)CC2)cc1 1871542355 QSYRVPSEDSAYNB-UHFFFAOYSA-N 516.477 4.559 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c(Br)c1 1873421194 LIUIDCKFBZSEFU-UHFFFAOYSA-N 521.459 4.919 10 10 KJCE CC(=O)NCCN1C(=O)C(Nc2cc(Cl)cc(Cl)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421987 ACVCHARYPBNCTP-UHFFFAOYSA-N 511.409 4.729 10 10 KJCE Cc1ccc2c(c1)/C(=C\c1nc3ccc(I)cc3c(=O)n1Cc1ccccc1)C(=O)N2 100023144 LLTGYYZOVLWYPL-CPNJWEJPSA-N 519.342 4.851 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3C)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377610 HOWKIZSMAQUVCM-VFCFBJKWSA-N 571.699 4.957 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 102822910 NVDODKFVVMUOFE-VRRFBIBZSA-N 506.653 4.556 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Br)c1O 103814877 OIOGPPKVUNJMFN-NTUHNPAUSA-N 538.192 4.599 10 10 KJCE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 137730720 DPHOURJKLUKATA-KLLVMDPRSA-N 566.749 4.505 10 10 KJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC(C)C)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526482320 XUHFWXKUHAIQID-SANMLTNESA-N 519.550 4.985 10 10 KJCE Cc1ccc2nc(N3CCCC[C@H]3C)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 1772721511 XDKATMWNNYRQEI-OJSPLJLUSA-N 508.644 4.922 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1861963386 VEWLNCARIULEDM-GOSISDBHSA-N 514.862 4.519 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2Cl)[C@H]3c2ccc(O)c(O)c2)cc1 1864008494 LIZBRIROSJRDAJ-DEOSSOPVSA-N 516.985 4.565 10 10 KJCE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1 1864015841 WXLLQJKEWPDGEX-SFHVURJKSA-N 534.922 4.709 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864017467 MWNZHOJJRVAIGS-VWLOTQADSA-N 545.039 4.861 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864017970 ZNDQYCSJLQOEHE-DEOSSOPVSA-N 544.583 4.530 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019931 RNGUGZVTAQLYMW-XMMPIXPASA-N 531.012 4.553 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864020061 VEJAMNKXYAYKIH-QHCPKHFHSA-N 541.048 4.517 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029323 KMEIKEIBAZQMPC-WAIKUNEKSA-N 523.033 4.985 10 10 KJCE CC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866658085 KKAWWNREOXBZRX-JOCHJYFZSA-N 525.536 4.641 10 10 KJCE C=Cc1ccccc1OCC(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867265694 MRFVRNUDFDUBQG-LJAQVGFWSA-N 516.553 4.980 10 10 KJCE COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867394207 MARLBEIMZXDGQP-LOYHVIPDSA-N 544.696 4.584 10 10 KJCE CC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738143 UXHASJWFYCLLMA-VSGBNLITSA-N 508.707 4.639 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868694853 GRSZTSHULKBDNV-FIRIVFDPSA-N 543.708 4.915 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@@H](C)N(c3ccccc3)[C@H](C)C2)n1 1869219335 OJSRZVFAKFMYOQ-DNQXCXABSA-N 500.691 4.868 10 10 KJCE COc1cc(C=C2SC(=S)N(N3C(=O)c4ccccc4C3=O)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2293344044 SYCGGISILDZIRC-UHFFFAOYSA-N 547.570 4.595 10 10 KJCE 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COc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1 106660000 OJROFYABBLTIQL-XEQYNKKRSA-N 528.590 4.851 10 10 KJCE CCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 164063941 GZUCLCPTEUJDGA-AUWJEWJLSA-N 622.584 4.614 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(C(F)(F)F)cc4)CC3)cccc21 1860596842 VKZLRQRVDWEQLL-UHFFFAOYSA-N 506.480 4.972 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864008872 UEVXGWXGOHHPAK-SXHVTTPXSA-N 509.006 4.635 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865031365 FIWGPQNLXBYERW-XMMPIXPASA-N 510.594 4.573 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865031785 OAIUXESVDNUDNW-XMMPIXPASA-N 525.609 4.689 10 10 KJCE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865034044 NVXBWZWTEYHWKN-JLTOFOAXSA-N 546.521 4.596 10 10 KJCE 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COc1cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc(OC)c1 1873420723 VAACVUXJNSODFY-UHFFFAOYSA-N 503.599 4.728 10 10 KJCE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OC)cc4)C3=O)o2)ccc1Cl 2313549202 PSECNVRLVVNVCK-UHFFFAOYSA-N 508.914 4.842 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313559036 PMDOVKLCFKDKPM-UHFFFAOYSA-N 585.407 4.705 10 10 KJCE CCOCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314414442 YYIYFOPZHXAEMX-UHFFFAOYSA-N 515.060 4.588 10 10 KJCE Cc1ccc(CN(C)C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)c(O)c1Br 2380781001 DNOGLHMHCQHCGI-SANMLTNESA-N 532.479 4.591 10 10 KJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(OCc2ccccc2)cc1 33555610 ABIREDLIAYWERK-BWAHOGKJSA-N 500.580 4.966 10 10 KJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 33860021 MJOJQHGGGVTLSN-ITYLOYPMSA-N 514.607 4.962 10 10 KJCE COc1ccc(N2CCN(c3nc(SCc4cccc(C(=O)N5CCCC5)c4)nc(C)c3C)CC2)cc1 36064116 WCWPGYLTAXFFSF-UHFFFAOYSA-N 517.699 4.957 10 10 KJCE CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1OC 40939836 WANIVNAGEZPDCF-ATVHPVEESA-N 507.431 4.793 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 101354022 ZDQJZVPRCMRNDY-RMMRYSJTSA-N 553.750 4.950 10 10 KJCE Cc1c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCN(c3ccccc3)CC2)n(C)c(=O)c1C#N 110520089 JIVRVWKCIWDJNL-OIHNEICTSA-N 555.729 4.854 10 10 KJCE O=C(COc1ccccc1Cl)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860512059 VWEDNUHEWGJVCZ-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864010944 CHQDWZSTJWYCKC-QFIPXVFZSA-N 531.440 4.959 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2O1 1864016704 VVSGTQICRHADCV-HSZRJFAPSA-N 528.996 4.636 10 10 KJCE CC[C@H]1Cc2cc(OC)ccc2N(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(CCOC)n2)C1 1869115524 YMNRJZFFTDLFDN-QFIPXVFZSA-N 517.674 4.730 10 10 KJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873169941 IQXKOIDOJYXOHR-UHFFFAOYSA-N 520.718 4.846 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426216 XDARCQUXOUXZHS-UHFFFAOYSA-N 569.706 4.603 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296727671 XENIGWNELNYCGB-IBGZPJMESA-N 560.520 4.690 10 10 KJCE COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)C2=C(C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2313683560 DMVJERAUHXRVBL-UHFFFAOYSA-N 572.622 4.871 10 10 KJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2314627516 GEETZZFDRHBKEB-QHCPKHFHSA-N 527.687 4.691 10 10 KJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314753593 BWWWSDKXLAYZFA-UHFFFAOYSA-N 585.542 4.695 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 109952538 TXMJHIUKIVSEJC-UQQQWYQISA-N 571.703 4.870 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 205611455 ZDQJZVPRCMRNDY-YYLNTILESA-N 553.750 4.950 10 10 KJCE O=C1/C(=C/c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 213154514 MNWSKRZAVAZMCS-MTJSOVHGSA-N 533.562 4.756 10 10 KJCE CC(C)[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1)C(=O)O 606672160 URLYXIICWMHVLG-DAIOKFOQSA-N 508.543 4.950 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Br)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084650401 YYDZORDAXAYMAR-SANMLTNESA-N 637.512 4.795 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccccc4Br)CC3)ccc21 1860588256 OKQYTGWFVQCAPS-UHFFFAOYSA-N 517.379 4.715 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864011132 ZRYRVESMSIYSHW-HSZRJFAPSA-N 526.996 4.587 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012563 DBOXQWBKVOBBJC-VWLOTQADSA-N 545.039 4.960 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030198 FMOOGWLGBWXVQW-DEOSSOPVSA-N 520.605 4.531 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4.817 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1cccn1-c1ccc(Br)cc1 2294093823 STHMKADZMRQOCV-UHFFFAOYSA-N 515.161 4.669 10 10 KJCE COC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)N(C4CCCCC4)C3=O)c2C)sc2c1CCCC2 2294973185 YMSXRWWMASNKMM-UHFFFAOYSA-N 509.628 4.616 10 10 KJCE Cc1ccc2nc(N3CCCC[C@H]3C)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414290 VHUKYIOFZWHGDA-QGZVFWFLSA-N 534.663 4.512 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3cc4cccc(C)c4nc3N3CCOCC3)SC2=S)cc1 2314647914 LGDALRSVVZDPNT-UHFFFAOYSA-N 505.665 4.832 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314768355 KQTNVVBSJFTLQZ-RUZDIDTESA-N 554.690 4.592 10 10 KJCE Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1 2690898 LCFSIXAUPGWUCP-PLRJNAJWSA-N 519.648 4.555 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H]3CCCc4sc(NC(=O)c5ccc(Cl)cc5)nc43)CC2)cc1 8979412 HNTVHIUNSDPJAE-OAQYLSRUSA-N 511.047 4.826 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911347 NPCCHNFZUYVCPF-JGBUZFKTSA-N 572.774 4.909 10 10 KJCE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccc(Br)cc4)cc3)C(=N)N12 104371895 JHQDXVKNECYGSF-UPLGOKCCSA-N 517.430 4.847 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccc(F)cc4)CC3)SC2=S)cc1 110520449 SSIQWTXGFLMADA-QQXSKIMKSA-N 573.719 4.741 10 10 KJCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526287853 UWXOTURQRWGEIE-RUZDIDTESA-N 500.551 4.691 10 10 KJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526336209 TXXSPLZBZJEICY-QHCPKHFHSA-N 510.930 4.784 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@H]1c1ccc(Cl)cc1 1083972589 HMZRQDMYOAOFCD-SANMLTNESA-N 550.055 4.998 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(I)c1OCc1cccc(C)c1 1084032915 FGNJDNFFTFCSIK-JMIUGGIZSA-N 626.403 4.972 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864009117 ZPAJYZMPDWTLCY-DNOBIOAJSA-N 524.621 4.785 10 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CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CC(=O)N3CC(C)(C)c4ccc(Cl)cc4[C@H]3C2)n1 1869139045 UHHDZVWWSKTFAP-AREMUKBSSA-N 561.130 4.709 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4c(C)cccc4C)cn3Cc3ccncc3)CC2)cc1 1870488385 AOCJXGUUPHSNHT-UHFFFAOYSA-N 524.665 4.818 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1csc(Nc2ccc(Cn3cncn3)cc2)n1 1874017005 KRLVFKPPDDKFBA-UHFFFAOYSA-N 506.547 4.554 10 10 KJCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 40066480 XCMYOIYQKBMOCX-UUYOSTAYSA-N 520.636 4.663 10 10 KJCE CC(C)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)SC1=S 101013712 GCPLXOGZJFIPND-LKBLTEDOSA-N 582.773 4.947 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 103235911 KOKVMJOEUZKMKX-SIJPIJEQSA-N 523.983 4.692 10 10 KJCE O=C(O)Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccccc3OC(F)F)SC2=S)cc1 210498464 IHCAEDDWSOQBJB-QGOAFFKASA-N 506.552 4.535 10 10 KJCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)C1 1554268786 JTKPFEAPUQREII-FWOCFWLASA-N 610.783 4.882 10 10 KJCE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864011748 XPVBRFYFTHLZLV-SPLOXXLWSA-N 541.446 4.608 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864019764 QHBKPLSQHDUOKU-RSDPBLMXSA-N 523.033 4.889 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864022846 YYNOZYFUZQWNJA-AREMUKBSSA-N 542.636 4.625 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3cccs3)CC2)cc1 1865317399 RYAQEGROJCHSTJ-SANMLTNESA-N 541.677 4.603 10 10 KJCE COc1cc(/C=C2\C(=O)N(Cc3ccc(C)cc3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665577 BEUQMFJDEAJOCX-OOAXWGSJSA-N 511.622 4.545 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccc(F)c(F)c2F)c2ccccc2)N2CCCCC2)cc1 1867810872 AENNZBNOZAOHAM-LEAFIULHSA-N 538.614 4.984 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C)[C@H](c3ccc(F)cc3)C2)n1 1868480671 FPFCCEHLFITSTR-VWLOTQADSA-N 507.569 4.936 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C)CCc4cnc[nH]4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869242604 HASQGVSYVMRCSG-UHFFFAOYSA-N 504.038 4.534 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869284994 JAMIBCITPZFACR-YTTGMZPUSA-N 591.691 4.787 10 10 KJCE COC(=O)COc1c(Cl)cc(C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Br 2293987051 KTJPECXIBIMLCV-UHFFFAOYSA-N 553.818 4.638 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 2313557646 ILELRFNMQSSGFR-UHFFFAOYSA-N 540.301 4.742 10 10 KJCE CCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 2314476871 XFWZNQKASAHMDQ-UHFFFAOYSA-N 568.746 4.562 10 10 KJCE Cc1ccc2nc(N3CCc4ccccc4C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314478817 WOGUJSLCXPTOPP-UHFFFAOYSA-N 620.760 4.769 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2257739 ULUNLWDWYVGFOI-FYJGNVAPSA-N 508.669 4.523 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1 101012899 MYFYMYUDORIJRA-NHMXVPMISA-N 542.686 4.858 10 10 KJCE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1C[C@H]1CCCO1 101013386 DJMFGXDMLWTBMV-BQHBAAMWSA-N 580.757 4.704 10 10 KJCE O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965248 FFSASBFLQDTJEB-PMFHANACSA-N 613.895 4.639 10 10 KJCE CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 110531548 OCYNXRYSISUALT-BWAHOGKJSA-N 583.755 4.532 10 10 KJCE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(O)nc3=O)C[C@H]2N=[N+]=[N-])(c2ccccc2)c2ccc(OC)cc2)cc1 263629239 URPYRSNVDWGRAB-PBWSGDRGSA-N 555.591 4.941 10 10 KJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)SC1=S 1860826584 IQPSPEJJYFPSLW-UDWIEESQSA-N 514.028 4.999 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](C)Oc3ccccc3C(C)C)c3ccccc3)CC2)cc1 1862205211 NXWQDNYFLULKPC-IADCTJSHSA-N 515.654 4.792 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864013096 QBAFBVRCXCUALD-HHHXNRCGSA-N 538.648 4.923 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864016294 LNXAPEVZWKOMSD-DEOSSOPVSA-N 510.594 4.621 10 10 KJCE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864016674 VFGGQYDIQWNZBF-QYBDOPJKSA-N 536.632 4.949 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864020244 XCCKSGRVCOZLNT-SANMLTNESA-N 524.621 4.533 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865036216 DWBQMUVDXINRNN-AREMUKBSSA-N 524.621 4.952 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccccc3)c3cccc(F)c3)CC2)cc1 1868720719 SOEFJDBWYKSGIG-VMPREFPWSA-N 549.712 4.943 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](C)c3cccc(Cl)c3)CC2)cc1 1868998617 LCJNEFVXYFXPBM-LYZGTLIUSA-N 536.072 4.624 10 10 KJCE COc1ccccc1CNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873165253 KWCXXOMVSSZUOD-UHFFFAOYSA-N 535.600 4.901 10 10 KJCE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)c1 1873418664 TUEXBOJSGBAFTO-UHFFFAOYSA-N 508.578 4.899 10 10 KJCE COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 2313560879 JZDNXLFHRJCSBX-UHFFFAOYSA-N 536.382 4.618 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCCC(=O)O 2314932332 MIYKWVBXYMZTNC-UHFFFAOYSA-N 578.668 4.982 10 10 KJCE CCC(=CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329515132 SXLSMLLDPGUTDG-PMERELPUSA-N 545.655 4.713 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C=C(c3ccc(C)c(C)c3)C3CC3)CC2)cc1 2329543487 ZMLSUAXWROLXMH-NDEPHWFRSA-N 521.727 4.692 10 10 KJCE Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1 33333163 KJBXMRXJWSRHOQ-CIAFOILYSA-N 515.326 4.931 10 10 KJCE Cc1c(Cl)cccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 100742851 QHLBGHUSIMRSAN-FDFHNCONSA-N 506.341 4.997 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378663 TXTZUYYMFWMEGT-VFCFBJKWSA-N 557.672 4.648 10 10 KJCE COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1N/C=C1\C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 109383047 KGAGHADPYDVIJG-XMHGGMMESA-N 613.490 4.763 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Br)c(OCC)c(OCC)c3)C2=O)c1 1083861179 NHADCROYBIMEKH-BOPFTXTBSA-N 547.402 4.710 10 10 KJCE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cc(Br)c(N2CCCC2)o1 1084453964 SMWIBXRHPGLCCR-WQLSENKSSA-N 515.216 4.780 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864006972 BXZIYDRUYFDEFB-RUZDIDTESA-N 531.012 4.689 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864017758 UQBDRCQIGJQJNK-DEOSSOPVSA-N 530.625 4.691 10 10 KJCE CCCN(CCC)c1cccc(C(=O)N[C@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1866600683 YTDTWXFMTVPKLG-RUZDIDTESA-N 558.704 4.974 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)N2CCCCC2)cc1 1867516853 AJNHDVFIUKSIMK-LJAQVGFWSA-N 587.765 4.533 10 10 KJCE Cc1cc(C)cc(OCCN2C(=O)C(NC[C@@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873166406 OOGNZERSNOUVRC-SANMLTNESA-N 513.638 4.638 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC3CCC(C(=O)OC(C)C)CC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873170859 UNXAEFVMHRDKTM-UHFFFAOYSA-N 549.712 4.947 10 10 KJCE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccccc1Cl 2297295596 JSVCEXHRVMUTLX-UHFFFAOYSA-N 506.008 4.803 10 10 KJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2C[C@H](C)O[C@@H](C)C2)SC1=S 39991314 AATDYGGEYTXAET-NGGAMFONSA-N 516.733 4.834 10 10 KJCE CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC[C@H](C(=O)O)C4)c(O)ccc3c2=O)cc1 103896194 BXDVWFBQOVUTIS-HNNXBMFYSA-N 535.471 4.783 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526282815 XKYHWYHOQMCEIB-JOCHJYFZSA-N 508.328 4.802 10 10 KJCE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(Cl)c3)c2O1 1864014868 FJFOSUVREREBHZ-IBGZPJMESA-N 548.949 4.768 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864014997 HRIWTPPQJINEQZ-LJQANCHMSA-N 534.510 4.502 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)c1 1864015311 OFKHBHBLCRLUCQ-VWLOTQADSA-N 524.621 4.937 10 10 KJCE COC(=O)c1c(NC(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccccc1 1865987558 WFVJPWUGNRTIRE-LJQANCHMSA-N 508.621 4.867 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867472301 OEIBRTFKSIHXQG-XKKJXBDVSA-N 667.807 4.662 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(OC)c(C)c3)C(C)C)C(C)C)CC2)cc1 1868710173 SFCZUDGEESXZMT-LITSAYRRSA-N 509.691 4.632 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CCc3cn(C)c4ccccc34)C2=O)cc1 1873167659 RAWIWUJZKXYERD-UHFFFAOYSA-N 537.708 4.840 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 2313559411 XXKHWWMHKQTRQB-UHFFFAOYSA-N 630.366 4.803 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314399775 DJTWCDZPMFBJMF-UHFFFAOYSA-N 520.680 4.793 10 10 KJCE COc1ccc([C@H](CNC(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)N2CCCCC2)cc1 2314625279 WNJJGWFZZVSQJO-NRFANRHFSA-N 515.726 4.691 10 10 KJCE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314759355 CDVWQAMGCTYXQW-UHFFFAOYSA-N 599.569 4.784 10 10 KJCE CCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1OCC 2314761837 YFMUMRPRERAVJY-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccc(C)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 2331393661 BUVOFZSNBDSXGY-UHFFFAOYSA-N 508.626 4.871 10 10 KJCE COc1cc(C=C2C(=O)N(c3cccc4ccccc34)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 2332105283 PLKRIXHBKPAORN-UHFFFAOYSA-N 525.527 4.908 10 10 KJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101054986 SZPBPMIWGWBUST-VWJVTLSUSA-N 549.291 4.602 10 10 KJCE CCOC(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 101971098 UKXQWMZUCATTIN-FDIDITGRSA-N 519.442 4.854 10 10 KJCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 101971594 UYTSRXLMVWTKAS-OYJNRBEISA-N 547.683 4.869 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccccc1F 102470950 ZPWFNVVSRGVLBV-VRAKWYDISA-N 501.543 4.866 10 10 KJCE Cc1ccc(CNc2c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 208273642 LDIRULHUYTTZHJ-BUVRLJJBSA-N 514.676 4.930 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007265 JCOQBBGNSUBABP-OAQYLSRUSA-N 517.413 4.900 10 10 KJCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1 1865034017 NBABLOMENHPZID-WHFJQLBOSA-N 534.579 4.845 10 10 KJCE 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COc1ccc([C@H](C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)C(C)C)cc1 1868856475 JAKFQBWWKIRTJR-FQLXRVMXSA-N 515.654 4.650 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc54)nc(-c4cccnc4)n3)CC2)cc1 1869373408 MHUDAURLUXLPLS-UHFFFAOYSA-N 524.625 4.585 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=NCCC4=CCCCC4)[nH]3)CC2)cc1 1871468005 UGHXHUVBGDWMCW-UHFFFAOYSA-N 517.722 4.655 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871523038 YJHLWHYPCJDQHN-UHFFFAOYSA-N 516.049 4.680 10 10 KJCE COCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cn(C)c3ccccc23)C1=O 1873165845 TXMZRELVJUTKIY-UHFFFAOYSA-N 510.638 4.535 10 10 KJCE COc1c(F)c(F)cc2c(=O)c(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cn(C3CC3)c12 1874016278 DUVCCIMLGYDVFC-UHFFFAOYSA-N 500.457 4.651 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 2296049244 QNRSMANFRQOQEB-UHFFFAOYSA-N 506.605 4.916 10 10 KJCE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)C1=Cc1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 2313578059 GOGWUCHAMFZKQO-UHFFFAOYSA-N 528.561 4.599 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C=Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 2331167907 OVXLZRURZNKGEP-UHFFFAOYSA-N 513.638 4.531 10 10 KJCE O=C1[C@H]2[C@@H](C(=O)N1C1CCCCCC1)[C@H](c1ccc(Br)cc1)OC21C(=O)c2ccccc2C1=O 105493154 BNZIXLALWBIGGW-VSKRKVRLSA-N 522.395 4.662 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864017728 SWRJXDQKGBGFDA-JOCHJYFZSA-N 511.022 4.890 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865028318 VTBVCBCVUDVSAB-AREMUKBSSA-N 510.594 4.724 10 10 KJCE COc1ccc(C2=NN(c3ccc(Br)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679657 YPQYALURCIAFNL-UDWIEESQSA-N 536.338 4.972 10 10 KJCE Cc1cc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] 1867878076 XUQYBYHGNGDOHA-VMPREFPWSA-N 543.668 4.784 10 10 KJCE CCC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868723382 IYNQDKIXQWGDBA-WDYNHAJCSA-N 517.645 4.990 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C[C@@H](C)c3cccc(OC)c3)CC2)cc1 1868939320 CSOMEOYRJHOZNC-AYWVHJORSA-N 561.748 4.964 10 10 KJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3ccc(Br)cc3)C2)n1 1869132910 OSOFSEPFJLHVNH-DEOSSOPVSA-N 538.490 4.715 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418365 FLOYMUZAIGQMCE-UHFFFAOYSA-N 546.675 4.633 10 10 KJCE CCOc1cc(C=C2SC(=S)N(C)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2293142398 RTHOPBLQLVSONN-UHFFFAOYSA-N 528.471 4.755 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccccc1C 2297307685 XHDMPAIANJIJKR-UHFFFAOYSA-N 548.543 4.659 10 10 KJCE COc1ccccc1OCCOc1ccc(C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1 2297497508 CYVCHYMQSZFOPN-UHFFFAOYSA-N 501.626 4.999 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(I)c1 2313557516 FMVJCFSVFIXABK-UHFFFAOYSA-N 560.294 4.815 10 10 KJCE O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 102008669 IZHMRRHZCVOPKW-QBFSEMIESA-N 530.675 4.988 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 103858107 IRFDXKKWIJWPJA-NDENLUEZSA-N 552.337 4.611 10 10 KJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526354274 JYQGLUCVKZFTAC-JOCHJYFZSA-N 511.914 4.612 10 10 KJCE Cc1cccc(C)c1NC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860827292 WCVWFOSKYSYNNX-FYJGNVAPSA-N 507.637 4.963 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864009771 DGKOFEXXWJANNF-QLWBXOBMSA-N 516.642 4.934 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@@H]2c1ccc(O)c(O)c1 1864017538 OOCNNYBHXOIPFN-RUZDIDTESA-N 540.620 4.618 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864018427 KXJIGSJYQBFPOF-SSOJOUAXSA-N 528.584 4.616 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864019301 ICTNGRKZZHFHLJ-VWLOTQADSA-N 545.039 4.612 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865027408 XRKYSNCOGUJZRS-AREMUKBSSA-N 543.023 4.978 10 10 KJCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865031236 CAEWMPWYIAAOGH-STXHMFSFSA-N 528.531 4.501 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865033808 ILKDZKSYRSKFMN-RUZDIDTESA-N 540.620 4.831 10 10 KJCE O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)C(c2ccccc2)=NN1c1ccc(Br)cc1 1865679557 SUQJJSHNILMRTM-UNOMPAQXSA-N 506.312 4.963 10 10 KJCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867424622 WIKHATIKBVJACS-CZNDPXEESA-N 623.798 4.689 10 10 KJCE Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867824170 ANRIHMYJIRDSLA-KYJUHHDHSA-N 512.698 4.746 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C)C4CCN(C)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867976998 IBIPJVQFGNVFMR-UHFFFAOYSA-N 507.082 4.663 10 10 KJCE CC/C(=C\C(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868947926 IPQNXFMFANOKKT-SZXBRLFYSA-N 558.517 4.893 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(-c4ccccc4)n3)CC2)cc1 1869211036 BSYQZZIWNWXPQV-YTTGMZPUSA-N 573.701 4.648 10 10 KJCE Cc1c(Cl)cccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873426010 RNCKDMNHFLNIRO-UHFFFAOYSA-N 533.072 4.970 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4CCCCC4)=NC3=O)c2)C[C@H](C)O1 101013846 FBQSOFZRIPFBJZ-CVXCTGKVSA-N 591.759 4.793 10 10 KJCE COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)c(OC)c1 103781125 GUAQQMOSRBNXRW-UDWIEESQSA-N 587.439 4.547 10 10 KJCE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OC(C)C)C2=O)cc1 164066489 NFILGIAWBQLHKG-LICLKQGHSA-N 646.219 4.748 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccc(O)c(OC)c4)S3)[C@H](c3ccccc3O)C2)cc1 206358490 DZSGGDVUFCPOFH-NFCNUSAFSA-N 501.564 4.937 10 10 KJCE CCCC[C@H](NC(=O)C[C@@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867240746 IAZDAIYCJFQUQT-BVZFJXPGSA-N 508.574 4.836 10 10 KJCE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867586155 DQWDTJGRHBJCQD-PBBNMVCDSA-N 602.135 4.668 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)CCc3csc(-c4ccccc4)n3)c3ccccc3)CC2)cc1 1868906300 PMHLJXSPJYFUKY-GDLZYMKVSA-N 540.689 4.958 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5ccccc5OC)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1869069902 FQYQIAFWDFNIFO-UHFFFAOYSA-N 578.761 4.776 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3OC(C)C)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425858 NZDABGIMQDNAFQ-UHFFFAOYSA-N 542.680 4.796 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296545919 AWPSCIWHXVHFHB-XMSQKQJNSA-N 528.659 4.802 10 10 KJCE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 2296698807 VNBABIDIYFSUOV-UHFFFAOYSA-N 545.734 4.551 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4Cl)n(-c4ccccc4)n3)CC2)cc1 2331394417 FJRJTPJSVNTCRE-UHFFFAOYSA-N 515.017 4.908 10 10 KJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cc(OC)cc(OC)c3)CC2)cc1 9251211 AVJFEHDGZKHZNK-UHFFFAOYSA-N 515.566 4.673 10 10 KJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110528531 DWDRMPBKHFHWTC-ULJHMMPZSA-N 536.723 4.881 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150421831 PADINNHOZPLKIP-NDZAJKAJSA-N 685.828 4.515 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)C2=O)cc1 209419658 LQVBDNXICQUHTE-LICLKQGHSA-N 532.669 4.818 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 1864010735 BEGSZHAUUOKTLC-AREMUKBSSA-N 545.039 4.932 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011301 GDLAYKNGGXBKQB-VWLOTQADSA-N 531.012 4.624 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029539 PNPDHJDATLSRCH-WGDIFIGCSA-N 510.594 4.841 10 10 KJCE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)Nc1ccc(Cc2ccc(N)cc2)cc1 1866006162 OQFOPIVYMBDJMO-VWLOTQADSA-N 503.599 4.825 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711579 PSNFVLMOJYJQBP-BDYUSTAISA-N 529.722 4.859 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)CCC(C)(C)c3ccc(C)cc3)CC2)cc1 1868728232 IVNRUTJGUVQZFV-SANMLTNESA-N 511.732 4.648 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)o3)CC2)n1 1869222370 HSBOSOIZKYACCN-UHFFFAOYSA-N 575.117 4.794 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(Cl)c4)n(-c4ccccc4)n3)CC2)cc1 1869969508 FDDBHSMQDJWOTN-XNTDXEJSSA-N 515.017 4.908 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4Cl)cn3C[C@H]3CCCO3)CC2)cc1 1870339527 CVAOFADWCDELAM-AREMUKBSSA-N 524.061 4.591 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCN(C)C)C(=O)N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1 1873165952 XQFFQYRDVRGGPE-UHFFFAOYSA-N 510.560 4.544 10 10 KJCE COc1ccc(CN2C(=O)C(NCCCCN3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167436 HISQCVWLBUNNFX-UHFFFAOYSA-N 526.681 4.848 10 10 KJCE Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 2296714175 CKVNSRRWQMCJCL-UHFFFAOYSA-N 537.663 4.505 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313558841 LBPNKZIOCDHAHE-UHFFFAOYSA-N 586.395 4.915 10 10 KJCE COc1ccc(N2CCN(C(=O)CCc3c(C)nc4c(-c5ccc(F)cc5)c(C)nn4c3C)CC2)cc1 9609458 JGXWCPIJEXBARP-UHFFFAOYSA-N 501.606 4.751 10 10 KJCE CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990153 UBSMQQMQGCBFSN-LODLPNETSA-N 516.733 4.549 10 10 KJCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 100886414 JSAKWVGYIONIRE-PBGVMVHZSA-N 527.071 4.649 10 10 KJCE O=C(O[C@H]1[C@H](c2c(O)cc(O)c3c2O[C@@H](c2ccc(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C3)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 257467606 KTLUHRSHFRODPS-SKENBBIFSA-N 882.736 4.958 10 10 KJCE endogenous,in-man CCCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 1084642655 VRWGBLFKMRQEAL-YBEGLDIGSA-N 630.220 4.968 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007766 UQIPFNCFCCEVNF-FQEVSTJZSA-N 503.386 4.510 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864016187 JHFWYAZHPKUSSP-UUOWRZLLSA-N 510.594 4.943 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864016278 LIAKLWRNCSGTOR-RUZDIDTESA-N 524.621 4.815 10 10 KJCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864016890 ZTZQAOHPPNWAAY-RUZDIDTESA-N 540.620 4.637 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864019732 PVMGQEKIOVETHG-JKHABCDFSA-N 502.615 4.544 10 10 KJCE CCc1sc(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866242119 JZLFNWOCJPRYDK-UHFFFAOYSA-N 556.438 4.937 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)CC2)cc1 1874722320 YKPPTADHXJKPIQ-UHFFFAOYSA-N 501.627 4.725 10 10 KJCE Cc1ccc2nc(N3CCCC[C@H]3C)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314413790 HYZMVJNMLRXFTF-LJQANCHMSA-N 586.743 4.585 10 10 KJCE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 2314476889 XOTWISXSRYQEPN-OTPAQWSUSA-N 624.810 4.717 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C(C)=Cc3ccccc3Cl)c3ccccc3)CC2)cc1 2330104971 UEHWFKXHWIYKRX-HHHXNRCGSA-N 504.030 4.958 10 10 KJCE CCOc1ccc([C@H](NC(=O)c2cc(OC)c(OC)c(OC)c2)c2cc([N+](=O)[O-])c3cccnc3c2O)cc1 2921373 LAMGJHJEMNCDFH-DEOSSOPVSA-N 533.537 4.793 10 10 KJCE Cc1ccc(NC(=O)COc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccccc4)C3=O)cc2)cc1 33716414 ZXHIPZKCFHLRQQ-JCMHNJIXSA-N 503.605 4.559 10 10 KJCE Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1C 103891396 PUPNBBGWYJDXAA-XKZIYDEJSA-N 539.373 4.982 10 10 KJCE 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RHZVTGIZNLBQSR-UHFFFAOYSA-N 519.436 4.533 10 10 KJCE O=C(O)CCCNc1cc(N2CCN(c3ccc(F)cc3)CC2)c2noc3c2c1C(=O)c1ccccc1-3 3742058 QFKFQCRKPRRDPT-UHFFFAOYSA-N 500.530 4.782 10 10 KJCE Cc1cccc(N2C(=O)[C@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 105493180 RDOKMUDFZPZBMA-VJBWXMMDSA-N 530.374 4.761 10 10 KJCE CN(C)c1ccc(CN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 105705640 ZIDCDOIYNJWISM-JRDCSTIWSA-N 540.689 4.834 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 150605344 RREHQKBWEVDBIN-YKQZZPSBSA-N 685.828 4.515 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cccc(Cl)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252672004 OWUAFJFQHOLEBI-SANMLTNESA-N 548.064 4.778 10 10 KJCE CC[C@H](NC(=O)/C=C/c1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862235934 QPKMGZJJDMMZMM-VKUFTZFMSA-N 513.638 4.531 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018923 DOINYRHQIMJPKW-XMMPIXPASA-N 531.012 4.819 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O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)NN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297312515 LNTZHIFEJSEMFA-UHFFFAOYSA-N 576.544 4.583 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Br)c1O 2313549149 OIOGPPKVUNJMFN-UHFFFAOYSA-N 538.192 4.599 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313562595 YNXWWKAMOLYTCC-UHFFFAOYSA-N 541.343 4.946 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1C 6766402 LBGLSKKFDOWWGS-BOPFTXTBSA-N 509.312 4.691 10 10 KJCE COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)sc2c1CCCC2 34687974 AZSJQQJUVVTXOW-UNOMPAQXSA-N 507.568 4.916 10 10 KJCE Cc1cccc2cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 38732803 WPFXKRPVSLBYHN-JCMHNJIXSA-N 502.665 4.646 10 10 KJCE CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)c3c(O)on[n+]3-c3ccccc3)N(c3ccccc3)C2=O)cc1 103409145 BAHXBVXQYUNKEE-NCELDCMTSA-O 554.652 4.863 10 10 KJCE COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)c1 105423803 BGPOSEXLDIFXHR-VCHYOVAHSA-N 526.421 4.888 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COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CCCCC5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1869077879 KTHQYGYPFUYHDD-UHFFFAOYSA-N 554.739 4.632 10 10 KJCE CCCOC(=O)c1ccc(CN2C(=O)C(NCCCOC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873165074 ATXURORYQRXPLN-UHFFFAOYSA-N 529.637 4.567 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc2c(c1)OCO2 2313558574 DWWCZDPQCWXEEW-UHFFFAOYSA-N 539.313 4.562 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314399350 RREHQKBWEVDBIN-UHFFFAOYSA-N 685.828 4.515 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)C[C@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314413924 LTTSODUHNNHYKQ-OALUTQOASA-N 504.681 4.887 10 10 KJCE COc1ccc(CCNC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccc(OC)cc4)C[C@H]23)cc1 102901767 HPGFRNOIKTZNOW-IXCJQBJRSA-N 539.598 4.949 10 10 KJCE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 110525247 YYKRNQUTOZXUIL-AUFPJITRSA-N 549.766 4.760 10 10 KJCE [N-]=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(OS(=O)(=O)c3cccc4c3C=CC(=[N+]=[N-])C4=O)c2OS(=O)(=O)c2cccc3c2C=CC(=[N+]=[N-])C3=O)C1=O 256081016 IYBMFZHGMIRLPI-UHFFFAOYSA-N 926.879 4.862 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526386470 BDKLWLWSFZAYOM-LJAQVGFWSA-N 528.653 4.579 10 10 KJCE COC(=O)c1c(NC(=O)C(=O)Nc2ccc(Br)cn2)sc(C)c1-c1ccc(C)c(C)c1 1860748720 IWXAPAJSIUZBMV-UHFFFAOYSA-N 502.390 4.862 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864021326 AVOLYXHDQXJMLQ-DRSDHFMOSA-N 546.590 4.749 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867476683 HBUNPORGIYHFDL-ACHIHNKUSA-N 624.786 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(Cl)c3)CC2)cc1 1874643559 ZZYKJKFKNDGNLU-HHHXNRCGSA-N 517.029 4.520 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 2314414233 SZTVPHNQYQHBDH-UHFFFAOYSA-N 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CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(OCC)c(OCC(=O)NCc4ccccc4)cc3Br)C2=O)cc1 101636416 SZGHOOFQGVWKEI-UCQKPKSFSA-N 622.472 4.608 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 102626317 POBVPUCUWNMQBN-FCDQGJHFSA-N 533.723 4.721 10 10 KJCE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 150651493 RWSRAQKQPFDVSA-OFWBYEQRSA-N 679.872 4.964 10 10 KJCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]23)c1O 248151031 JVBVZQULDURGKZ-AMZZYFJHSA-N 527.017 4.607 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1Cl 526625230 KXBZSNIOGZZCJD-RUZDIDTESA-N 509.942 4.923 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 1083920327 PKTVCMQZKGGDTP-JAIQZWGSSA-N 586.357 4.993 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864014056 MGLVDSAGTBNNCI-DEOSSOPVSA-N 510.594 4.807 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(Cl)c1)[C@H]2c1ccc(O)c(O)c1 1864016183 JGIMQHYWUTUBKL-QFIPXVFZSA-N 516.985 4.646 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017235 IQDPEOWKUGPTMS-MZNJEOGPSA-N 526.593 4.562 10 10 KJCE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)CC1 1865031555 JJDJWOLEUFLAHZ-LJQANCHMSA-N 548.949 4.909 10 10 KJCE CC(C)(NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867190780 VUONNPWBKZIXJD-UHFFFAOYSA-N 549.631 4.827 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868694854 GRSZTSHULKBDNV-IOWSJCHKSA-N 543.708 4.915 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3nnc(-c4ccc(Cl)cc4)n3C)CC2)n1 1869219376 UEEGNWPIAHKRQR-UHFFFAOYSA-N 588.160 4.540 10 10 KJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873167310 APNCWIHQGYOJIF-UHFFFAOYSA-N 508.707 4.701 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 2296545922 AZGNUTQMAIQUQA-JOCHJYFZSA-N 528.659 4.550 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1OCCC(=O)O 59816267 ODQLOWAIRAHOOR-RCCKNPSSSA-N 528.652 4.783 10 10 KJCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(NCc3ccc4c(c3)OCO4)nc3ccccn3c2=O)SC1=S 102852205 NWVUAQAIZVFXHU-QIWJOQEQSA-N 542.642 4.998 10 10 KJCE COc1cc(/C=C2\N=C(S[C@@H]3C(=O)N(c4ccccc4)N=C3C)N(c3ccccc3)C2=O)cc(OC)c1OC 103702391 CHYQGZWGIHYDAY-ABSINIAXSA-N 542.617 4.981 10 10 KJCE Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 253569855 MWJSILPXNACYJJ-BHDDXSALSA-N 505.448 4.709 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864017229 IPPWUNFJBFHYOM-VWLOTQADSA-N 540.620 4.699 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864018695 AHFVCUUKNXFBLF-QFIPXVFZSA-N 511.022 4.559 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864019447 YXMQMBJQXOCFHT-XMMPIXPASA-N 549.002 4.709 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019933 RPJNXYMIMLICQI-XMMPIXPASA-N 531.012 4.819 10 10 KJCE CCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867025277 ZMRODNMACCKQEW-UKILVPOCSA-N 536.588 4.599 10 10 KJCE O=C(Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1868153354 KRCKPQHUBIGEDM-UHFFFAOYSA-N 555.590 4.604 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccco4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871568203 VALQRJCACHFCLO-UHFFFAOYSA-N 506.010 4.539 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(Cc5ccc(Br)cc5)[nH]c4c3)CC2)cc1 1872798096 JHQCIUXEWKRCNM-UHFFFAOYSA-N 505.416 4.887 10 10 KJCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873419134 QTBAPFICIFLOJW-UHFFFAOYSA-N 506.562 4.668 10 10 KJCE N=C1C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296053596 BGLWAAMMVLKCLZ-UHFFFAOYSA-N 531.041 4.975 10 10 KJCE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 2313549194 PNGDPEOSUJOKTM-UHFFFAOYSA-N 599.219 4.744 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 2314400486 NLQAXLULZZDODS-IRXDYDNUSA-N 541.098 4.671 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 101012854 YUOFNMQTZJCFHP-DHNIJCFSSA-N 546.649 4.689 10 10 KJCE CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 101013318 LRUXNPJLOKMFLV-JWGURIENSA-N 526.709 4.791 10 10 KJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c1C 213200230 SNIHVXJORWTFOL-PKIWBCANSA-N 507.637 4.792 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013714 ZFBONTBXCNWTFY-RUZDIDTESA-N 546.574 4.584 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864022302 LJSPUYDNGMQCLR-AVRWGWEMSA-N 540.620 4.877 10 10 KJCE CC[C@](C)(NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867093132 XKVIZUGXBZAAIB-HKBQPEDESA-N 510.590 4.965 10 10 KJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3ncncn3)CC2)n1 1868228661 SDQRXIWFBCZOPV-UHFFFAOYSA-N 505.582 4.688 10 10 KJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1OC 1873169017 VATGPMRAKJLNJD-UHFFFAOYSA-N 522.605 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(F)cc5)ncnc4n3Cc3ccco3)CC2)cc1 1875232238 WAQOMJFRLVQMSH-UHFFFAOYSA-N 540.599 4.795 10 10 KJCE CCc1ccc(N2C(=O)NC(=O)C(=Cc3cn(CCOc4ccc(OC)cc4)c4ccccc34)C2=O)cc1 2296038224 QCEJFGAFMQHVOR-UHFFFAOYSA-N 509.562 4.958 10 10 KJCE Cc1c(NC(=O)CCCCCN2C(=O)/C(=C\c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 33921941 QEGKSNBFILGHNP-RELWKKBWSA-N 520.680 4.885 10 10 KJCE Cc1c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(NCCc2ccccc2)n(C)c(=O)c1C#N 40066549 REFWLAZBDIEBMK-ULJHMMPZSA-N 514.676 4.664 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 47133166 DCOLHPBSKIUTBJ-ATVHPVEESA-N 500.627 4.735 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cc(OC)ccc1OC 100618007 OPCDOQDDUYBWEG-YVBHXKDBSA-N 571.699 4.531 10 10 KJCE CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 101732198 INOGLVYRAYSMEL-PTGBLXJZSA-N 548.727 4.801 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 109953863 BYXJURXBGSCYPP-YSMPRRRNSA-N 615.712 4.599 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC 252676150 WDFPVYWGRPRRLF-MUUNZHRXSA-N 559.663 4.744 10 10 KJCE CN(C)c1ccc(/N=N/c2ccc(C(=O)O[C@@H]3O[C@H]([C@@H]4COC(C)(C)O4)[C@H]4OC(C)(C)O[C@@H]34)cc2)cc1 1078372800 ZYXAACXIHFJWBL-KGRBTWQKSA-N 511.575 4.721 10 10 KJCE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 1084391626 BIOHNDYJUFFVJZ-SSEXGKCCSA-N 629.735 4.701 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865023058 PKHUGPKXIHEYIJ-MUUNZHRXSA-N 549.675 4.795 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865031212 BQRHTNQSPXYHSB-DEOSSOPVSA-N 510.594 4.725 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865033289 WEAMCEFRCHVJBJ-VWLOTQADSA-N 543.023 4.779 10 10 KJCE CSCC[C@@H](NC(=O)Cc1ccc(C)c(Br)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867231895 GRYJZZVTYAWOJH-HSZRJFAPSA-N 565.489 4.952 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(F)c(F)c1F)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867810913 AXMOCMFPUDPUJH-RPWUZVMVSA-N 518.624 4.802 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(OC)c5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867947575 VDWQZTLGXNFNMK-UHFFFAOYSA-N 550.707 4.738 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CO)C4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867998657 JIJBUXMXXBEKDR-HSZRJFAPSA-N 515.702 4.985 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868751793 WMCAWZFWRLYGKG-QEPDXWQUSA-N 518.057 4.828 10 10 KJCE 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GFSJZHVQDFBYGW-UHFFFAOYSA-N 535.600 4.772 10 10 KJCE Cc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1C 1873426195 WEDVLQKCHIZWLM-UHFFFAOYSA-N 512.654 4.625 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)cc1Cl 2296540701 HRYPEUZDMFSUCO-UHFFFAOYSA-N 500.001 4.877 10 10 KJCE O=C(N[C@H](Oc1ccc(C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 2297498038 BRVBELKIZKMXMZ-IIBYNOLFSA-N 605.974 4.580 10 10 KJCE CCCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33781309 PSAYSRPHIQYVTG-CIAFOILYSA-N 522.652 4.735 10 10 KJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1 97944920 NISSAOMGLCBBPR-HAHDFKILSA-N 571.449 4.788 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 101012847 WYICBXAGRGCFAI-DGEAWOGYSA-N 542.686 4.858 10 10 KJCE CC[C@@H]([C@@H](C)OCc1ccccc1)n1ncn(-c2ccc(N3CCN(c4ccc(OCOC)cc4)CC3)cc2)c1=O 504063309 LHIJBIYHBOPNJS-NJHZRGNWSA-N 557.695 4.900 10 10 KJCE 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C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314829269 UUDIWDMUSWNJQR-AGHHOFFYSA-N 576.737 4.739 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1OC 101011767 PNNQCZORTLMSHR-NLRVBDNBSA-N 584.723 4.718 10 10 KJCE CN(C)c1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2NC(=O)COc2ccc(Cl)cc2)cc1 101316039 KFKUSOPGYQIXLQ-HSZRJFAPSA-N 529.822 4.845 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc(Br)c1O 101745151 URDBWSIWEMTMCY-DHDCSXOGSA-N 558.273 4.862 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)[C@@H]3Sc4ccccc4N(Cc4ccccc4F)C3=O)CC2)cc1 102768590 NJYHCFZKPHJVGV-JHOBJCJYSA-N 576.738 4.806 10 10 KJCE O=C1/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@@H]1CCCO1 102823030 HQBVZZODZFMGOK-UWODKOOBSA-N 546.718 4.534 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 150590923 PHNCNGIVKOBWNL-USHMODERSA-N 645.782 4.930 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864018858 SLDRGXXNLPSNHK-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029856 WPVBJWUTWKALJZ-HSZRJFAPSA-N 523.033 4.843 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030673 OKHQUYJDXGGIRI-XMMPIXPASA-N 522.621 4.777 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1865031553 JISDYAHMIOQKJG-XMMPIXPASA-N 525.609 4.689 10 10 KJCE CC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867738142 UXHASJWFYCLLMA-NSOVKSMOSA-N 508.707 4.639 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867364 CWBGMJJMANWIJU-WDYNHAJCSA-N 532.084 4.919 10 10 KJCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(Cl)cc1 2297468114 FHGOABAMXCQOAG-UHFFFAOYSA-N 509.035 4.769 10 10 KJCE CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/c1ccc(-c2cccc(C(=O)OCC(C)C)c2)o1 8815727 RWVRICLMHIUSKK-OEAKJJBVSA-N 508.552 4.812 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)C3CCN(c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)CC2)cc1 33356683 UASDNIHNKFAQQN-UHFFFAOYSA-N 584.740 4.777 10 10 KJCE O=C(CN1C(=O)/C(=C2/SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 39983100 GSLPCPZUUHIATM-QZQOTICOSA-N 509.996 4.690 10 10 KJCE COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)c1C 96925475 CHNBTSUYEWFGCB-LPYMAVHISA-N 507.543 4.695 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 101427493 RGCHXFIZBHKFQO-ALLGYFEPSA-N 535.626 4.777 10 10 KJCE Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(C)cc4Br)C(=O)[C@H]32)cc1 253565732 IBVZHPBZDIQZLS-ZLNRFVROSA-N 530.374 4.761 10 10 KJCE CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 1084483329 MOLHHDLLQJBPJS-HHHXNRCGSA-N 517.695 4.768 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 1772721412 QLZSXLLYAXTVHW-CBDSRCBXSA-N 548.690 4.615 10 10 KJCE CCc1sc(NC(=O)C(=O)NCCCCN(CC)CC)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763658 LPFPFHUZIWGIOI-UHFFFAOYSA-N 538.508 4.703 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cc(C)ccc2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008672 PKZGXOSDJPWLIP-AREMUKBSSA-N 510.594 4.528 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864023172 UZQLWHMGRVZRQV-RUZDIDTESA-N 540.620 4.960 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865030246 GSVNVOJSANIFNX-CKJLQQLRSA-N 543.668 4.753 10 10 KJCE Cc1ccc(C)c(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)c1 1865033926 KQUHOOBUWBRCRI-NRFANRHFSA-N 542.558 4.685 10 10 KJCE COc1cccc(OC)c1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867360718 AIWMRWLKUWKPEF-IZLXSDGUSA-N 576.713 4.593 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 1867647013 CJFNQRWGGZBXAS-JOCHJYFZSA-N 544.540 4.863 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2Cc2ccc(Cl)cc2)n1 1869108477 BKILOOXHKABIHZ-VWLOTQADSA-N 522.093 4.866 10 10 KJCE CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559774 RZKXEPHDXFQGGE-UHFFFAOYSA-N 528.584 4.930 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414135 QLZSXLLYAXTVHW-ROUUACIJSA-N 548.690 4.615 10 10 KJCE O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2O[C@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 150369372 KTLUHRSHFRODPS-GPSWPUGHSA-N 882.736 4.958 10 10 KJCE endogenous,in-man CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1 1084296134 BHURTVKAUFGDGH-LJAQVGFWSA-N 571.699 4.613 10 10 KJCE CCc1sc(NC(=O)C(=O)NCc2ccc(OC)cc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763724 OBMQJMNFWAYMAO-UHFFFAOYSA-N 531.428 4.790 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864018085 CFCSQZHTWXCYFS-VWLOTQADSA-N 532.616 4.745 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(CO)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867999323 XKSTVAPMJOBFLK-UHFFFAOYSA-N 515.702 4.985 10 10 KJCE CC[C@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868861545 IDIMLJLIOKLPQE-BJKOFHAPSA-N 506.474 4.985 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(F)cc4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969477 NVOORIOGPRVKIG-UHFFFAOYSA-N 520.996 4.576 10 10 KJCE CC(=O)O[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1N=[N+]=[N-] 2081160249 CRGYKVBLGHLKTD-XZTOTZIXSA-N 573.602 4.825 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccccc4)c(OCC)c3)C(=O)N=C2S1 2296660143 JGVJFAYOVOHMNU-UHFFFAOYSA-N 522.627 4.979 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc(Br)c1OCC 2313548783 FUFNYMHOCORVAC-UHFFFAOYSA-N 552.219 4.984 10 10 KJCE CCOC(=O)C1CCN(c2nc3ccc(C)cc3cc2C=C2SC(=S)N(CCCOC)C2=O)CC1 2314650535 MWTVNYHMEMAUGU-UHFFFAOYSA-N 513.685 4.560 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314766760 BWUHYEFETFQTCW-AREMUKBSSA-N 568.717 4.982 10 10 KJCE CN(CCNc1ccc(NCCN(C)c2ccccc2)c2c1C(=O)c1c(O)ccc(O)c1C2=O)c1ccccc1 29493199 JISSSUKHAKMIRY-UHFFFAOYSA-N 536.632 4.970 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 33751735 VYSWBSKXHJUGMB-FPJJECCMSA-N 504.681 4.949 10 10 KJCE CC(=O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 72131473 GZEZATDDANETAV-OILVNKCFSA-N 719.630 4.756 10 10 KJCE in-vitro COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 101191172 DCHFYPORDOJREI-JOMNFKBKSA-N 589.689 4.563 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 1084011253 PRXZNODRLFXDRL-ATVHPVEESA-N 511.372 4.999 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 1084586070 YJCNKPNNKOQKTC-NDEPHWFRSA-N 592.117 4.876 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1cccs1)[C@H]2c1ccc(O)c(O)c1 1864015249 NEJRTNZESIVPQZ-QHCPKHFHSA-N 530.650 4.732 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCCC(C)C)=C(N)O3)cc1 1864022558 OOCNBGHUMZOVLY-RUZDIDTESA-N 540.620 4.816 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030919 UTTNBKVRGDWVND-XMMPIXPASA-N 537.060 4.902 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865033608 DPXHACWEJQLBAU-FQEVSTJZSA-N 548.537 4.844 10 10 KJCE Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1 1867539613 LUPHXDPVECHZGI-QXNWPYRLSA-N 595.744 4.632 10 10 KJCE CC[C@H](CC(=O)N[C@@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868960970 ILWGPLZRDZZMOI-NGOKVRLYSA-N 560.533 4.984 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccc(CC)cc3)C2)n1 1869223262 GRHQWDSNIWRVRC-HHHXNRCGSA-N 501.675 4.905 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 2293367059 JEPBHIPNAQPRPD-UHFFFAOYSA-N 518.517 4.951 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296846682 SNVQVNDCOQRBBO-UHFFFAOYSA-N 538.695 4.640 10 10 KJCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314828830 MFUKVSIGULMUFB-QFIPXVFZSA-N 605.779 4.606 10 10 KJCE CC(=Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 2330431568 RGWATOKHPIWEHW-NDEPHWFRSA-N 530.580 4.937 10 10 KJCE O=C1/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1C[C@@H]1CCCO1 2509054 AWBLPFIMSDNFBV-QBNCKDSPSA-N 515.454 4.746 10 10 KJCE Cc1ccccc1COc1ccc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1 103601644 FLLYSXRHBBKGQW-IYYHIDBJSA-N 501.612 4.596 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252673044 QULDTHRQFLYSQV-AREMUKBSSA-N 548.064 4.778 10 10 KJCE COc1ccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526331571 QWZVIJAYSJZMED-QHCPKHFHSA-N 513.930 4.843 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N=Nc4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 1084088328 IVVNPEKXEBUEBB-MUUNZHRXSA-N 584.654 4.937 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)c1 1864008635 OUMKKCODZGQGQO-XMMPIXPASA-N 516.985 4.565 10 10 KJCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864011008 YAHNAWVWUFYQPZ-AREMUKBSSA-N 524.621 4.859 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015796 VNOXIVPTGZDBIW-GOSISDBHSA-N 536.938 4.957 10 10 KJCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(Cc2ccccc2)C(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028452 VFSJNMPNGOLFGR-HHHXNRCGSA-N 540.620 4.732 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3nc(C4CC4)n4ccccc34)cccc21 1866861058 YTXPKTBFYWNZOD-SANMLTNESA-N 554.606 4.967 10 10 KJCE CCCC[C@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866913117 HIWJMHDTAUEUNJ-SANMLTNESA-N 535.600 4.880 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867626587 HOPUKOGGXDZFIN-LBFZIJHGSA-N 681.834 4.677 10 10 KJCE CSCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867752035 HZQFWICEGLRHNP-KYJUHHDHSA-N 664.338 4.776 10 10 KJCE C[C@H](O)Cn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870940791 PIQVDGJZHBZIOY-QFIPXVFZSA-N 518.658 4.755 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873167807 YKFHHZMLHVVBPC-UHFFFAOYSA-N 547.663 4.560 10 10 KJCE COc1ccc(CN2C(=O)C(Nc3ccccc3S(C)(=O)=O)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873417939 JJWQUAPJEACWDE-UHFFFAOYSA-N 555.656 4.898 10 10 KJCE CCN(CC)c1ccc(-c2nc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)ccc3[nH]2)cc1 1873508538 OURDSEYHQFFKJF-UHFFFAOYSA-N 511.626 4.763 10 10 KJCE CC1(C)C2=C3C=C4C5=[N+](CC[C@H]4O[C@@H]3CCN2c2ccc(S(=O)(=O)O)cc21)c1ccc(C(=O)O)cc1C5(C)C 1911531433 SBENIUNBHGZPJB-JWQCQUIFSA-O 547.653 4.561 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCC 2294217017 ZUUQAVFAXQUZBU-UHFFFAOYSA-N 509.809 4.731 10 10 KJCE N=C1C(=Cc2ccc(OCc3ccc4c(c3)OCO4)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297467704 XMSITJWVVZOJCN-UHFFFAOYSA-N 517.954 4.710 10 10 KJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965225 PFHCKAGNFACMJX-LTKMBJGESA-N 569.444 4.530 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C/c3cc(OC)c(OCCOc4ccc(C)cc4)c(OC)c3)C(=N)N12 104485322 FEYPJXXRMGMLNO-OEEDQDNFSA-N 526.640 4.800 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc4c[nH]nc4c3)[C@H]2c2ccc(O)c(O)c2)cc1Br 526282820 XKYHWYHOQMCEIB-QFIPXVFZSA-N 508.328 4.802 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C(=O)O)c1 1083919536 JGEUCCKBMIBMDC-ZDLGFXPLSA-N 541.343 4.946 10 10 KJCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012368 YMEXHTQRUYPXRH-CLYVBNDRSA-N 540.620 4.540 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864013102 QDNKOZKZWBOIOW-JOCHJYFZSA-N 511.022 4.559 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864013516 XNQFZGPKJWZXRL-QHCPKHFHSA-N 525.049 4.805 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864019051 UVYGSJIXCODVDT-XMMPIXPASA-N 549.002 4.709 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1865028194 RNXFSKDCAIZPOV-JOCHJYFZSA-N 541.446 4.698 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865029369 LPWMMMMITISNEN-XMMPIXPASA-N 502.615 4.722 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)/C(C)=C/c3cccc(Cl)c3)c3ccccc3)CC2)cc1 1868750706 VDPWVSOASLKJJR-KVMXLORXSA-N 504.030 4.958 10 10 KJCE CC[C@H](C)NC(=O)COc1cn(Cc2cccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870965579 WSPSBIGIUGHDAI-QFIPXVFZSA-N 511.626 4.941 10 10 KJCE COC(=O)C1CCC(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)CC1 1873170798 QZTIYRGPUNSZCF-UHFFFAOYSA-N 535.685 4.558 10 10 KJCE CC(C)(C)OC(=O)NCC1(NCc2cccc(Br)c2O)CCN(Cc2ccccc2)CC1 2067212158 RDRAMHBCWJFCML-UHFFFAOYSA-N 504.469 4.804 10 10 KJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 2297341028 HCDRXAXJBGTVGW-UHFFFAOYSA-N 537.442 4.678 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1F 2297469086 VAHVGQKPSBWCAQ-UHFFFAOYSA-N 515.526 4.506 10 10 KJCE C/C(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 100059706 BXLUWNRROLJFHD-RGEXLXHISA-N 573.582 4.847 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 100849793 FSKXOZLCLSYTCH-RWVGPTSPSA-N 571.769 4.699 10 10 KJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(CC)CC)cc2)c1 526311926 BBNJWWZQLCXJCF-SANMLTNESA-N 521.639 4.636 10 10 KJCE CCCC[C@@H](NC(=O)COc1ccc(C)cc1C(C)(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862173181 ZUJWLYVAHWLCTB-AREMUKBSSA-N 509.691 4.704 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865027449 YKHHMRIZMQPGMD-XMMPIXPASA-N 523.033 4.790 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865031089 YSMCATXRKRGDLI-VWLOTQADSA-N 534.632 4.920 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC[C@@H]2C)=C(N)O3)cc1 1865032678 HZIPIOFWOXMXIP-MHECFPHRSA-N 532.641 4.722 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867464293 PPICDQXOAUOLMW-WVXBCFDCSA-N 619.601 4.783 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccc(F)cc5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869372638 VBJXFNBNPQRFKA-NDEPHWFRSA-N 539.659 4.506 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccco4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970504 LZWSTEFFXUYXCE-VAWYXSNFSA-N 504.978 4.501 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4C[C@H]4c4ccccc4Cl)n(C(C)(C)C)n3)CC2)cc1 1869970914 SMEDGGPMJXWPSM-VXKWHMMOSA-N 509.054 4.764 10 10 KJCE CCNC(=O)COc1cn(Cc2ccc(F)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870971816 WZOKIHVOXAXPNC-UHFFFAOYSA-N 500.574 4.906 10 10 KJCE Cc1ccccc1NC(=O)COc1cn(C[C@@H](C)O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871156919 ZGZQGKNBLJPGAZ-JOCHJYFZSA-N 512.610 4.911 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3cccs3)C2=O)cc1 1873167559 MGFXQKZFNRKLNS-UHFFFAOYSA-N 502.684 4.901 10 10 KJCE CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)NC(=O)CCCCN=[N+]=[N-] 2049392487 SUXYJENDGGXZGI-UHFFFAOYSA-N 630.780 4.567 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccccc1 2293662177 AFUGSJKOTSUBLI-UHFFFAOYSA-N 551.393 4.972 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 2296539437 XVFVLUUJTLKCKF-UHFFFAOYSA-N 571.680 4.663 10 10 KJCE COc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O 2313548061 KNJKTHSMWBFZTE-UHFFFAOYSA-N 667.035 4.642 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c1 2314504438 QCYQZHHWLVWTHZ-UHFFFAOYSA-N 509.609 4.641 10 10 KJCE CCOCCCN1C(=O)C(=Cc2cc3ccccc3nc2N2CCC(C(=O)OCC)CC2)SC1=S 2314648172 SEJOFMPSXINZTE-UHFFFAOYSA-N 513.685 4.642 10 10 KJCE COc1cccc2c1O[C@@H](C)C(/C=C1/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C1=O)=C2 33514458 HDCSSAYMADWEJX-YIRPMMGJSA-N 505.621 4.606 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O 59815856 PAKPFDZJDHBSAP-BUVRLJJBSA-N 564.641 4.674 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 150451009 JKZJUAULNRHRBT-GKEDPZKTSA-N 656.877 4.594 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)N3CCOCC3)C2=O)ccc1OCc1ccccc1 211906213 SJBZIQAYLDYEON-NCELDCMTSA-N 540.707 4.895 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N=Nc4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084291109 HLKOPRVUFYPNKZ-MUUNZHRXSA-N 567.671 4.985 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 1084545224 ZJWKHNDJAJPGSF-BKUYFWCQSA-N 522.311 4.603 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864011345 HCPAIPCCUIDVBM-SANMLTNESA-N 545.039 4.748 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864021439 BTXYTEMPTUWWRX-SFHVURJKSA-N 536.938 4.634 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865033337 XMFHTTQTKZBBEM-QFIPXVFZSA-N 509.006 4.597 10 10 KJCE CSCC[C@@H](NC(=O)Cc1nc(-c2cccc(F)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866654147 AYGBNDIXBIHDOZ-XMMPIXPASA-N 571.630 4.984 10 10 KJCE CC[C@@](C)(NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866813124 PXKJDKPMKLPJKF-JGCGQSQUSA-N 574.699 4.847 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@H](C)N(CCCOC)[C@@H](C)C2)n1 1868386841 JBSLBMQPDRQNKO-SFTDATJTSA-N 527.669 4.884 10 10 KJCE 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COc1ccc(C=C2SC(N=c3[nH]nc(SCC(=O)Nc4cccc(C(F)(F)F)c4)s3)=NC2=O)cc1 2314952169 VLMDVUOUQWWGBF-UHFFFAOYSA-N 551.597 4.801 10 10 KJCE COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1 106368106 XFODSESUHNSCNH-FSJBWODESA-N 520.588 4.847 10 10 KJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526466587 ZFVGXONBAYKNED-RUZDIDTESA-N 505.523 4.739 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084462709 FVQPAESDPIGLOD-NDENLUEZSA-N 565.376 4.710 10 10 KJCE Cc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)c1C 1860557915 CTQPPHRCEHGMTJ-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864015669 UYGMEVJDTFMLCV-HXUWFJFHSA-N 530.547 4.589 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccccc3C)CC2)cc1 1865653183 VJWUQEISDBDXEN-NDEPHWFRSA-N 535.648 4.541 10 10 KJCE CC(C)(NC(=O)C[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 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544.677 4.637 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029482 OGFDYBRHAXEZIR-CEYNDMKZSA-N 516.642 4.744 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868843122 CIHGBXYBVPTJKF-AJQTZOPKSA-N 571.718 4.745 10 10 KJCE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869002398 GBUOTLNITNDMPP-AREMUKBSSA-N 552.679 4.530 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CC(=O)N4CCc5ccccc5[C@@H]4C3)n2)cc1 1869339357 NEAFCDVQQIIOFY-HKBQPEDESA-N 590.728 4.824 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NCCc3ccccc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873162244 MGAZNXLNDXPQMA-UHFFFAOYSA-N 540.664 4.627 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c(C)c1 1873426003 QXJKHSXTWPYJGP-UHFFFAOYSA-N 512.654 4.625 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(C)c1 2313557940 PKTVCMQZKGGDTP-UHFFFAOYSA-N 586.357 4.993 10 10 KJCE 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COc1ccc(N2CCN(CCCNC(=O)c3oc4c(c3C)-c3nn(Cc5ccc(C)cc5)cc3CC4)CC2)cc1 101588642 AZBVXMRPYDXMKF-UHFFFAOYSA-N 553.707 4.858 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911436 RHZMCJAAMPJTRQ-XFCXFMAGSA-N 579.165 4.864 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 150426882 SECMQFZSPGHLBO-GOOXQAOHSA-N 649.585 4.591 10 10 KJCE Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccccc3C)C(=O)c3ccccc3C2=O)c(Br)c1 248342414 YEJMIYQJMOJDAP-ZRBLBEILSA-N 530.374 4.761 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008307 HWLHHXAFMJCRKX-VWLOTQADSA-N 531.012 4.607 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@@H]2c1ccc(O)c(O)c1 1864015097 JMEYGXUTEAREIG-XMMPIXPASA-N 528.584 4.767 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864020032 UTLLLYQKFLYMTA-BLFHIAQRSA-N 530.669 4.911 10 10 KJCE 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COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868843581 RURYHZWYPLCIHA-XZWHSSHBSA-N 529.681 4.525 10 10 KJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOCC)C2=O)cc1 1873165824 WRZZEECHZIAHTF-UHFFFAOYSA-N 543.664 4.957 10 10 KJCE Cc1cc(C)cc(OCCN2C(=O)C(NC[C@H]3CCCO3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873166405 OOGNZERSNOUVRC-AREMUKBSSA-N 513.638 4.638 10 10 KJCE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2296539158 GSLPCPZUUHIATM-UHFFFAOYSA-N 509.996 4.690 10 10 KJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 2314831655 PJPZBPRZUWDLNN-UHFFFAOYSA-N 531.612 4.718 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778132 ZCAOWPABQIQEQJ-XYGWBWBKSA-N 570.509 4.785 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 33468383 FELKRZCBUZVZCO-PXLXIMEGSA-N 520.680 4.649 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(Br)cc1OCC(=O)Nc1ccccc1 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CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018707 ASBKPGPJJDGDLI-XMMPIXPASA-N 530.650 4.594 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864022045 JLYACRDTNOVZEQ-OXJNMPFZSA-N 545.562 4.867 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865026366 IFZCWXDKUQKQJZ-KGOIAXLQSA-N 514.626 4.714 10 10 KJCE Cc1cc2nc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(C3CC3)n2n1 1867170561 WFEOQXAAWPIIEV-SANMLTNESA-N 587.611 4.809 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867947649 YEJNTBSVYAPLAY-UHFFFAOYSA-N 565.678 4.637 10 10 KJCE COc1ccc(CCN2C(=O)C(NCc3ccc4c(c3)OCO4)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873168266 OWIUMIWPOXOVBU-UHFFFAOYSA-N 549.627 4.944 10 10 KJCE N=C1C(=Cc2ccc(-c3ccc(Br)cc3)o2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2296056397 YSEUMRYVLHJCQC-UHFFFAOYSA-N 526.416 4.731 10 10 KJCE CCOc1c(I)cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)cc1OC 83292363 UWBUNOWPUKPFGZ-OQLLNIDSSA-N 506.296 4.514 10 10 KJCE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Nc2nc3ccccc3s2)C1=O)Nc1nccs1 101034268 FLDDBIQICLQCAS-YVLHZVERSA-N 570.659 4.907 10 10 KJCE COc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2ccc(Br)cc2)C1=O 101745366 MUJRUZNLKRTKMX-OQLLNIDSSA-N 528.247 4.766 10 10 KJCE CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)cc1 102370455 NBIGLIQXWJDLCF-UKILVPOCSA-N 542.617 4.747 10 10 KJCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 207822435 BJVPHZQFBSNYAO-RGVLZGJSSA-N 552.678 4.541 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864017162 HBTNRJOLYIZPGV-HSZRJFAPSA-N 534.975 4.649 10 10 KJCE CCCC[C@H](NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867105917 NGZJQCLPFGXGMN-DEOSSOPVSA-N 568.605 4.938 10 10 KJCE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1 1868341202 PMYIBBZVAHMPPE-UHFFFAOYSA-N 567.671 4.503 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868709564 ZXAAANSMVCCJMA-LOYHVIPDSA-N 547.671 4.746 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868749975 BSEFUSDMJHSOAW-BFKDBJQSSA-N 536.047 4.967 10 10 KJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873418819 BMWVEBSNNXCDIR-UHFFFAOYSA-N 520.589 4.597 10 10 KJCE O=C(CCCN1C(=O)C(=Cc2cc(Br)ccc2O)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831368 JNAHJWZSHLYBNE-UHFFFAOYSA-N 522.402 4.683 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2062294 WISGCVDJCIYGOU-RISWYLRJSA-N 593.061 4.686 10 10 KJCE COc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 101750813 KYBSPCLZTCGKKA-XKZIYDEJSA-N 575.046 4.782 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 102687549 AZGNUTQMAIQUQA-GQBVICOWSA-N 528.659 4.550 10 10 KJCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 110521637 PDXHLHHZQLNOPL-ITYLOYPMSA-N 561.777 4.904 10 10 KJCE Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 1084015998 GOGLJWKHZILFRE-NDENLUEZSA-N 522.355 4.530 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N=Nc4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccc(OC)cc1 1084242419 GCEZHMUCDLBKMN-HHHXNRCGSA-N 554.628 4.928 10 10 KJCE C[C@@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1 1865031910 QYJMWLVVERKAJR-MPCDZSKCSA-N 537.620 4.545 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2F)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867855087 GMZCPMBWZDLFLU-JSOSNVBQSA-N 574.697 4.502 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711581 PSNFVLMOJYJQBP-XNMGPUDCSA-N 529.722 4.859 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CCCCC5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869202432 LDKMCTWISQTYPA-UHFFFAOYSA-N 540.712 4.708 10 10 KJCE 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4.663 10 10 KJCE COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)c3ccccc32)S1 105592169 WAVHVNHQLMKFDW-CQSZACIVSA-N 608.719 4.573 10 10 KJCE C#CCOc1c(I)cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)cc1OC 108461713 LSJABRSUZKERIF-PDGQHHTCSA-N 537.400 4.726 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCc3ccccc3)nc12 109967853 UZYZRAKDXKACJY-IWIPYMOSSA-N 556.669 4.788 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864012672 GFCMPOKURRNEPV-AREMUKBSSA-N 542.611 4.754 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@H]1c1ccc(O)c(O)c1 1864021403 BKWFXDLQULAZNH-AUSIDOKSSA-N 520.630 4.677 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867431458 WUMMYNUSMRZVPH-OCZFFWILSA-N 623.798 4.833 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867844313 AHIWBIZMHNEGKZ-BHBYDHKZSA-N 602.692 4.562 10 10 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COc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867460145 UZHAFFDJEZULQR-IZLXSDGUSA-N 683.644 4.931 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868386771 HKEGEIAMQNQUFH-MUUNZHRXSA-N 535.579 4.765 10 10 KJCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)c1 2296539245 JERSUPMUUFVDHW-UHFFFAOYSA-N 595.706 4.554 10 10 KJCE COc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cc(C)ccc1C 2297347590 KZEWJQZFAWLSKS-UHFFFAOYSA-N 526.387 4.983 10 10 KJCE CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 2297468909 ONVFSDGAZOCCRS-UHFFFAOYSA-N 511.607 4.596 10 10 KJCE CC[C@@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 100851022 MGBJSJAASKATPM-IXOWOOARSA-N 548.690 4.902 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C\c4ccc(OC)cc4)S3)s2)cc1 206386230 NLMGDPPQCFYTNX-LDADJPATSA-N 555.663 4.537 10 10 KJCE 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CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 1084052521 ALHGPBIUMIJGAX-NDEPHWFRSA-N 547.721 4.777 10 10 KJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)o1 1084060603 FCNTUEJATLMYSO-BOPFTXTBSA-N 540.326 4.909 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(I)cc2)o1 1084147012 ZMXJGCZQDWJEHE-PTNGSMBKSA-N 518.307 4.522 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N=Nc4ccccc4)cc3O)c(=O)n2[C@H]1c1ccccc1 1084595996 GJHPLMYBMFKRRX-SANMLTNESA-N 524.602 4.919 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccccc2)sc(C)c1-c1ccc(Br)cc1 1860757961 DFRBIYZHZKQYBY-UHFFFAOYSA-N 515.429 4.960 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@H]2c1ccc(O)c(O)c1 1864015510 ASVXZUNORPWLFV-DEOSSOPVSA-N 540.620 4.687 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019985 STCRNKORZWONNL-OAQYLSRUSA-N 523.014 4.572 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 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COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(C(=O)O)cc1 2313557418 CLDFJPLJHJRPNG-UHFFFAOYSA-N 569.339 4.540 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 2313560837 INCJRIFTVVYWAC-UHFFFAOYSA-N 516.691 4.937 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Br)C2=O)ccc1O[C@H](CC)C(=O)O 2314934519 HXEJTEJJZZUPDZ-MRXNPFEDSA-N 565.467 4.636 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 100849838 YXDJYEBWCMWDMO-YZSQISJMSA-N 603.770 4.588 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1OC 101737449 YLSZJPFTQPAHSC-XUDLPTGHSA-N 522.442 4.972 10 10 KJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101965251 FFSASBFLQDTJEB-LTKMBJGESA-N 613.895 4.639 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 103601592 BQECHJUNOXZQOC-SBNRGTIZSA-N 527.606 4.832 10 10 KJCE Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(I)cc(I)c2OC(C)C)C1=O 103813837 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4.632 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccccc5)C4)nc(Cc4ccccc4)n3)CC2)cc1 1869081300 HHSDZORKRWFAON-LJAQVGFWSA-N 521.665 4.981 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)N(c3ccccc3)[C@H](C)C2)n1 1869219336 OJSRZVFAKFMYOQ-PSWAGMNNSA-N 500.691 4.868 10 10 KJCE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873419529 JLIYRFJIDXRERQ-RUZDIDTESA-N 513.594 4.642 10 10 KJCE CC(=O)NCCN1C(=O)C(Nc2cc(C)ccc2OC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423952 KVBWCSBYEHYFQW-UHFFFAOYSA-N 514.626 4.518 10 10 KJCE O=C(CCN1CCCCC1)NN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2)SC1=S 2314488607 LMVKQOOIABWAPG-UHFFFAOYSA-N 517.680 4.648 10 10 KJCE NC(=O)C1CCN(c2nc3ccccc3cc2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2314650512 LJNCTVVLDJAMTR-UHFFFAOYSA-N 523.083 4.991 10 10 KJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)SC1=S 2314767732 HTFCZIIWYKUQSS-KRWDZBQOSA-N 508.415 4.669 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3N=C(c4ccc(C)cc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 104101180 FTPDCDWAOOYAPS-NHQDZBNKSA-N 546.630 4.829 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 1084526578 TYYDHYFTOQYDSB-AQTBWJFISA-N 511.372 4.999 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865035412 SVMBULYCOXUPMQ-HSZRJFAPSA-N 525.049 4.902 10 10 KJCE CC(C)N1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867436280 PUSJUEZFKTWDLB-JSOSNVBQSA-N 595.744 4.572 10 10 KJCE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868726066 ZOPGBKQUFNCJKT-WUFINQPMSA-N 503.618 4.600 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc6oc(O)nc6c5)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869164526 NGUGNZLYCXAMDZ-UHFFFAOYSA-N 577.689 4.961 10 10 KJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3F)ncnc21 1875207268 TTZRCBSCFOOSEL-UHFFFAOYSA-N 502.594 4.564 10 10 KJCE Oc1c(I)cc(I)cc1CNC[C@H]1CCCN(Cc2ccccc2)C1 2059840853 RBCWNPQCWYMWQL-MRXNPFEDSA-N 562.233 4.603 10 10 KJCE CC(=O)O[C@H]1[C@H](O[C@@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H]2CO[C@H](O2)[C@@H]1N=[N+]=[N-] 2080705839 NPMNRMJFANMGJJ-BYZYQRTOSA-N 659.692 4.747 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OCCOc1ccccc1 2293381556 GIZBVDYTCCMENU-UHFFFAOYSA-N 551.393 4.890 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 2313561067 SFZAKBVSAKFGQV-UHFFFAOYSA-N 515.703 4.727 10 10 KJCE Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)SC2=S)cc1 2672996 WSGDBXDNTDLCBR-BKUYFWCQSA-N 519.560 4.669 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(NCc4ccco4)nc4ccc(C)cn4c3=O)SC2=S)cc1 35300165 LYPKNFZNINIUPJ-MTJSOVHGSA-N 518.620 4.618 10 10 KJCE CCc1ccc(CC)c(-c2nonc2NC(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)c1 47133747 PXDVPGLIIBMPTE-MOSHPQCFSA-N 508.625 4.710 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103848867 NZPQORHPNFGNPP-PXNMLYILSA-N 601.297 4.872 10 10 KJCE CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 110531444 JIIGCXBMPATKQA-XHPQRKPJSA-N 597.782 4.922 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864008780 RYOGQPFIAVZVEJ-DEOSSOPVSA-N 521.017 4.947 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009536 AEQISADOOWVQIM-RUZDIDTESA-N 545.039 4.943 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864011221 RUDRVBLWUSVILX-SANMLTNESA-N 538.629 4.860 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864021747 GFAWFHINZSCNHV-SFHVURJKSA-N 536.938 4.634 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865034666 BLKKTILGRBQGBX-UAVUOLJFSA-N 537.060 4.758 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4cccc5ccccc45)n(-c4ccccc4)n3)CC2)cc1 1869970895 RZOWLCICBMHHTA-UHFFFAOYSA-N 518.621 4.937 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2296754948 VUBYFKBTSGCYHA-GBESFXJTSA-N 520.680 4.579 10 10 KJCE CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC)c(OCC)c3)C2=O)cc1OC 2297454391 ZSEIXTDRHWSMHY-UHFFFAOYSA-N 516.978 4.597 10 10 KJCE CCN(CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)CC)c1 36009273 BMVVOFMICJTEDI-OAQYLSRUSA-N 509.068 4.736 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 100885947 JZVAEUCIFJAXMR-XPVJKVDVSA-N 600.770 4.689 10 10 KJCE O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 101281869 VAFJKELYGPZXSA-STZFKDTASA-N 548.715 4.792 10 10 KJCE COC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)SC1=S 101740919 SBOMTHHOKSPECS-PDGQHHTCSA-N 522.442 4.801 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526627645 YXBFPIAOIWQRLY-DEOSSOPVSA-N 525.941 4.541 10 10 KJCE Cc1nnc([C@H](CC(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cccc(Br)c2)o1 1867036261 YQLNVABVFBHHID-IVZQSRNASA-N 587.430 4.581 10 10 KJCE CC[C@@H](C)NC(=O)COc1cn(Cc2ccccn2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870961924 LFYHDVMNHAGSGW-JOCHJYFZSA-N 511.626 4.941 10 10 KJCE CCCCOC(=O)COc1cn(CCCN(C)C)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871200214 FTUUDWRDRRYDHO-UHFFFAOYSA-N 506.647 4.878 10 10 KJCE COc1ccc(CCN2C(=O)C(NCc3cccnc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873164301 VAASPRZTMKCHHN-UHFFFAOYSA-N 536.632 4.619 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C(=O)OC(C)C)c3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421470 ZSMVNGPGMDCFIF-UHFFFAOYSA-N 528.653 4.803 10 10 KJCE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2296721764 QUOQCISKRUOLAJ-UHFFFAOYSA-N 597.678 4.699 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 2297312842 NBLHKKQCHWZDEW-MJGOQNOKSA-N 506.653 4.556 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2297498985 BDVFSIHPXLSVLC-UHFFFAOYSA-N 521.576 4.729 10 10 KJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(N3C[C@@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 2314400987 TWKQTXUIMLUBMK-QRVBRYPASA-N 514.717 4.726 10 10 KJCE Cc1cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCC(=O)O)C2=O)ccc1Cl 2314506442 CXFZHRUKBVSUOW-UHFFFAOYSA-N 516.000 4.515 10 10 KJCE Cc1nc(F)[nH]c(=Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc5ccccc5c4S(=O)(=O)O)c(O)c23)c1Cl 2333208957 HZXUWNMHMUNHBX-UHFFFAOYSA-N 698.088 4.911 10 10 KJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1cccc(C)c1 20235909 MEKFNBRGJIYHPO-JUWLHOMFSA-N 512.360 4.674 10 10 KJCE CCN1C(=O)/C(=C\c2cc(I)c(OCCOc3ccccc3)c(OC)c2)SC1=S 100198708 KBELTIJJKGMOQS-QGOAFFKASA-N 541.432 4.979 10 10 KJCE CN1CCCc2cc(CNC(=O)c3ccc(CN4CCC(C(O)(c5ccccc5)c5ccccc5)CC4)[nH]c3=O)ccc21 101743684 DRLKGIJBCQVYBB-UHFFFAOYSA-N 576.741 4.835 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)c(Br)c(Br)c1O 108492901 AZPMBAZSKFPQBI-IZZDOVSWSA-N 564.108 4.973 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 137766428 JDEJXAVSVGAOJJ-UDFIWPTRSA-N 566.749 4.852 10 10 KJCE O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 209419853 SBUQHLYHXQKJSA-RIYZIHGNSA-N 508.672 4.871 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526159912 DBUUSDZYXATNPK-XMMPIXPASA-N 525.941 4.987 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084279180 BWOXAABBKMCVHB-GRSHGNNSSA-N 617.327 4.593 10 10 KJCE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)cc1Cl 1084399151 WTRALIFZQIKGQK-WQRHYEAKSA-N 511.962 4.505 10 10 KJCE CCOc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860554073 JLOXKSMOXDRBMS-UHFFFAOYSA-N 505.530 4.689 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864008292 HRPQXTRYPXHTGX-RUZDIDTESA-N 531.012 4.689 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864012911 MBLJMCWDHFQBKF-QBFCQJJASA-N 534.632 4.824 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864012953 MUEPXNKWCKQCBD-QFIPXVFZSA-N 511.022 4.559 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864016438 PEVCYNXDUMBKJU-MHECFPHRSA-N 510.594 4.619 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864018987 GASFUFLSWFERSV-DEOSSOPVSA-N 547.011 4.519 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864020143 WIUFWKMPBQTNTM-QHCPKHFHSA-N 523.033 4.702 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030317 HTEQKPGASIRAHE-XDHUDOTRSA-N 520.605 4.530 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H]2C[C@H]2c2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867057435 IHLFOFCAOXVTNV-XEVVZDEMSA-N 572.617 4.857 10 10 KJCE CN(C)c1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867888823 SKOCPFZJXGBZRR-KYJUHHDHSA-N 527.713 4.633 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868914852 NNUOTSDLUSGTCF-WJOKGBTCSA-N 566.702 4.691 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccccc3F)C2=O)cc1 1873167304 AJVLPXFBDGTZGU-UHFFFAOYSA-N 514.645 4.979 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)cc1[N+](=O)[O-] 1873419230 VRUBPHDSJGBBTM-UHFFFAOYSA-N 512.522 4.996 10 10 KJCE CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CN1CCN(C=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)CC1 2084610351 NWLAOTPMBHINEF-UHFFFAOYSA-N 523.424 4.524 10 10 KJCE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NCc1cc(Br)cc(F)c1O 2084885022 AVKZYZVXTOBFMZ-UHFFFAOYSA-N 520.440 4.582 10 10 KJCE CC(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682378 BGTGNCRSLPGNRU-UHFFFAOYSA-N 554.588 4.928 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OC 2314767777 IJEJULXEPXRETC-QGZVFWFLSA-N 508.415 4.884 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3cc4ccccc4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 38732784 YMYTVLSVCFRCIO-HAHDFKILSA-N 502.665 4.646 10 10 KJCE CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OCC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526277286 TXUULLZEIHZQTQ-RUZDIDTESA-N 505.523 4.739 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 1864008829 SUIJCEARTRMJAC-XMMPIXPASA-N 516.985 4.565 10 10 KJCE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864010918 BWICSJPRGAJRGO-JOCHJYFZSA-N 529.424 4.711 10 10 KJCE Cc1ccc(OCc2nc(CC(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cs2)cc1 1866584328 QYHAHHBMWLDSSL-UHFFFAOYSA-N 553.640 4.882 10 10 KJCE CCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867025275 ZMRODNMACCKQEW-ILBGXUMGSA-N 536.588 4.599 10 10 KJCE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867502002 DYNHKDLRBCAEKJ-QPPIDDCLSA-N 717.867 4.990 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccccc4C)n(-c4ccccc4)n3)CC2)cc1 1869969558 FEOKSFLRZRCEKA-UHFFFAOYSA-N 526.641 4.709 10 10 KJCE CCCCOc1ccc(Nc2nc(=NCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871613691 RABKBCQVVZVDTI-UHFFFAOYSA-N 505.667 4.619 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(Cl)c(C(F)(F)F)c4)cc3)CC2)cc1 1892167069 MXZKZZOLKFIRFC-UHFFFAOYSA-N 568.017 4.808 10 10 KJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 20287065 CJXCOUFMHJTNHH-HKOYGPOVSA-N 523.615 4.990 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccc(C)cc1 33386748 XTFSTEQYVAQKHZ-OAXZUEFOSA-N 511.563 4.675 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864022324 LSEAXYUPIFMMFK-VWLOTQADSA-N 540.620 4.878 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031311 DVFMMQNJRZIPHE-MGPUTAFESA-N 528.531 4.706 10 10 KJCE CCCN(CCC)C(=O)COc1ccc(/C=C2/C(=O)N(CCC)N=C2c2ccc(OC)cc2)cc1OC 1865675670 ULYDFCIAHRZNBC-HKOYGPOVSA-N 507.631 4.771 10 10 KJCE Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C 1867575563 UOFNFNJFTJVSJG-WBBHLRKXSA-N 595.744 4.632 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCCC4)cc3)C(=O)N(CCCN(C)C)C2=O)cc1 1873421119 IBBNFSDJSDQQBH-UHFFFAOYSA-N 511.670 4.838 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccccc5C)ncnc4n3Cc3ccco3)CC2)cc1 1875233590 HZMKHESMBVLCOI-UHFFFAOYSA-N 536.636 4.964 10 10 KJCE COc1ccc(C(=O)Oc2ccc(C=C3SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)cc1 2296701126 VRBNMTMGBZTCJY-UHFFFAOYSA-N 504.589 4.769 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 2297312843 NBLHKKQCHWZDEW-PKOBYXMFSA-N 506.653 4.556 10 10 KJCE CC(C)c1ccccc1OCCOc1ccc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 2297345442 WUQSVZQRMWLGRH-UHFFFAOYSA-N 547.058 4.542 10 10 KJCE O=C(O)COc1c(Cl)cc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br 2297556201 PFWAMPYXXCEVMN-UHFFFAOYSA-N 527.736 4.711 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)sc(C)c1C 2313558817 KLSFSKUHEPKYHQ-UHFFFAOYSA-N 525.627 4.920 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314829211 RHZMCJAAMPJTRQ-PBEJRMEISA-N 579.165 4.864 10 10 KJCE Cc1ccc(C)c(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 2533220 LBQQXRCQFIWBJQ-GHVJWSGMSA-N 503.605 4.653 10 10 KJCE COc1cc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl 101965037 SZTRRWIRMRZUAA-WVSFHRMVSA-N 542.418 4.710 10 10 KJCE N=C1/C(=C\c2cccn2CCOc2cc(Cl)ccc2Cl)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102464366 NBZVXCHOQQMHKA-SRSVFKJASA-N 559.479 4.896 10 10 KJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 102520462 LZWRTJRYLZRNPX-HAHDFKILSA-N 533.631 4.567 10 10 KJCE Cc1c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2CCN(c3ccc(F)cc3)CC2)n(C)c(=O)c1C#N 110520457 DTFMSJVPPYSQID-MYYYXRDXSA-N 577.682 4.572 10 10 KJCE CCc1nnc(NC(=O)COc2ccc(/C=C3/SC(=S)N(c4ccccc4)C3=O)cc2OC)s1 211917063 YTCSWRORSKTVDJ-LDADJPATSA-N 512.638 4.532 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526632125 JUPWBPZOKWTOAZ-SANMLTNESA-N 520.582 4.853 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)/C=C/c3ccc(OCc4ccccc4)cc3)CC2)cc1 1862235758 OVXLZRURZNKGEP-WOJGMQOQSA-N 513.638 4.531 10 10 KJCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008889 UOJCXNJBDBPOGX-SGANQWHYSA-N 547.011 4.826 10 10 KJCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(C)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012369 YMEXHTQRUYPXRH-DNOBIOAJSA-N 540.620 4.540 10 10 KJCE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864019091 VXBBWENADHRVFB-LRTDBIEQSA-N 531.440 4.821 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865027080 FSMVTJQAZFBADS-WHEQGISXSA-N 529.424 4.852 10 10 KJCE 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DJTWCDZPMFBJMF-CJLVFECKSA-N 520.680 4.793 10 10 KJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\N1CCN(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)CC1 101458986 KWEKPMVZGIXOIS-REPVBDINSA-N 523.424 4.524 10 10 KJCE CCOc1cc(Br)c(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 103859372 ORLHNJOWRBBYOT-DHDCSXOGSA-N 538.192 4.675 10 10 KJCE Cc1ccc2nc(-c3ccc(/N=N/[C@H](C(=O)Nc4ccc(S(=O)(=O)O)c5ccccc45)[C@H](C)O)cc3S(=O)(=O)O)sc2c1S(=O)(=O)O 161012034 KKSKOGCQSCEQNZ-JEHCGWSGSA-N 720.785 4.637 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 210744369 GLOZZQVOMAQCRV-CJLVFECKSA-N 528.652 4.978 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526228187 FOUTWBFALPDMRV-SANMLTNESA-N 507.539 4.970 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 1084500307 REXRKKWOOJSSAN-YVLHZVERSA-N 586.395 4.915 10 10 KJCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 1772722941 LCHGGJXELUAISP-NDEPHWFRSA-N 540.689 4.930 10 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CCOc1ccc(CCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3CCCOC)cc1OCC 1875222900 JVCYHNZCAUHWAT-UHFFFAOYSA-N 616.763 4.891 10 10 KJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cc(I)c(OCc2ccc3c(c2)OCO3)c(I)c1 2313556526 BYJHWRUYFPNOND-UHFFFAOYSA-N 738.228 4.599 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 2313558038 RGEAGUKEGVMPKD-UHFFFAOYSA-N 569.339 4.540 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccccc5F)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314408611 PRVGNZYOWNHQTK-UHFFFAOYSA-N 601.729 4.879 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2314408626 TXMJHIUKIVSEJC-UHFFFAOYSA-N 571.703 4.870 10 10 KJCE COc1ccccc1OCCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1 2427176 HLENGFVHFIGQPJ-CFIDLQCGSA-N 513.579 4.606 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 109501926 FPFPQGSBWLKSFN-XKZIYDEJSA-N 538.695 4.532 10 10 KJCE COC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 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CCOCCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2296714214 JZUULQLQWYLKBK-UHFFFAOYSA-N 517.470 4.994 10 10 KJCE Cc1ccc2nc(N3CCCCCC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314399999 HBYZRBQSFKIGEE-UHFFFAOYSA-N 508.644 4.924 10 10 KJCE Cc1c(N2C(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 2314475911 FNGXFXALZXKBGY-UHFFFAOYSA-N 698.852 4.764 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 2314476148 JKZJUAULNRHRBT-TYBLODHISA-N 656.877 4.594 10 10 KJCE COc1cc(C=C2SC(=S)N(CCC(=O)N3C[C@@H](C)O[C@H](C)C3)C2=O)ccc1OC1CCCCC1 2314489121 OCPYSFRGBQCBGV-QZTJIDSGSA-N 518.701 4.634 10 10 KJCE C[C@@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314836736 JFJKYBURLUTXBE-NSHDSACASA-N 556.301 4.823 10 10 KJCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 40066734 DZJJEHXTMPXPLJ-QJOMJCCJSA-N 524.712 4.721 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC[C@H]3C)nc12 100885972 SVUNHUIHWVMQIV-BFWROUECSA-N 586.743 4.585 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc(C(=O)O)cc1 1084427733 CCGFJODCDYIMTK-YVLHZVERSA-N 632.407 4.547 10 10 KJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 1084555200 OEYXRSNYUYKAIB-IDUWFGFVSA-N 555.326 4.666 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864019161 HCRWLXIRUZRUCH-QFIPXVFZSA-N 509.006 4.643 10 10 KJCE CSCC[C@@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866735738 MSXBKXFYDXTVBK-AOYPEHQESA-N 584.694 4.994 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)CCc3csc(-c4ccccc4)n3)CC2)cc1 1868900014 JCRFUJHLILYNSY-LJAQVGFWSA-N 570.715 4.533 10 10 KJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)SC1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2296053619 MJOJQHGGGVTLSN-UHFFFAOYSA-N 514.607 4.962 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 2296545490 VQIOOQULDCQPGC-UHFFFAOYSA-N 543.670 4.885 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296849753 MSQAKMZCRMHUDC-HXUWFJFHSA-N 508.669 4.540 10 10 KJCE COc1c(I)cc(I)cc1C=C1C(=O)N(c2ccccc2)N=C1C 2297577860 DXFWGONJUKBKFR-UHFFFAOYSA-N 544.130 4.711 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O 2297624328 QALFRLNHALNJDD-UHFFFAOYSA-N 516.200 4.692 10 10 KJCE NC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3C34CC5CC(CC(C5)C3)C4)S2)CC1 2314476977 ZEGFMPTXANPLAR-UHFFFAOYSA-N 515.683 4.508 10 10 KJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccccc4OC)c(OC)c3)C(=O)N=C2S1 33586329 XUIAWXIRGPYNLT-IBZKTRPLSA-N 508.600 4.971 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc(Br)c1OC(C)C 40938580 RRHTUASXTDGHRF-WJDWOHSUSA-N 502.452 4.789 10 10 KJCE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2 47133703 DNIHDWXQDFSJIA-MOSHPQCFSA-N 508.600 4.985 10 10 KJCE CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cc(Br)c(O)c(I)c3)C2=O)cc1 53226049 GFWMLTLNSUMCRK-QPEQYQDCSA-N 557.138 4.665 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 103356060 BUIDUPYJMXCJOV-GVMLUORFSA-N 593.061 4.686 10 10 KJCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 137693699 XAXYZJDBAAPONW-SDPDQUOZSA-N 566.749 4.746 10 10 KJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OCC(C)C)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526469736 FHIXOCNKKMJCCZ-SANMLTNESA-N 519.550 4.985 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018261 GZDIDEHEYYRFTN-VWLOTQADSA-N 545.039 4.878 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030918 UTTNBKVRGDWVND-DEOSSOPVSA-N 537.060 4.902 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865034957 IEODNWPKWMIBKS-QHCPKHFHSA-N 523.033 4.656 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867910010 DCJINPJGXKRPIA-JSOSNVBQSA-N 636.149 4.924 10 10 KJCE CC1(C)C2=C3C=C4C5=[N+](CC[C@H]4O[C@H]3CCN2c2ccc(S(=O)(=O)O)cc21)c1ccc(C(=O)O)cc1C5(C)C 1911531435 SBENIUNBHGZPJB-RPBOFIJWSA-O 547.653 4.561 10 10 KJCE Nc1ccc(CC(=O)Nc2cc(Br)c(I)c(Br)c2)cc1 2151791495 XHXZSQMWHUPJRB-UHFFFAOYSA-N 509.967 4.580 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2313574224 AMWBBSFCGUFOAX-UHFFFAOYSA-N 565.376 4.710 10 10 KJCE CN1C(=O)C(=C(Cc2ccccc2)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)SC1=S 2314489206 PPKDTAPCKYPPKP-UHFFFAOYSA-N 520.705 4.627 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCCC4)nc4ccccn4c3=O)SC2=S)cc1 33473969 KYQDDOXASCMXME-RELWKKBWSA-N 520.680 4.527 10 10 KJCE COc1cccc(OCCOc2cccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)c2)c1 106505337 QPRJVMWOIWQGMW-AEVKUXSFSA-N 528.590 4.851 10 10 KJCE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 110527913 HQBCRVUQFQNZNL-UTAZUFIDSA-N 536.723 4.762 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3cccc(OCc4ccccc4)c3)SC2=S)cc1 210722238 DMPLZCPQDYQZBY-JJIBRWJFSA-N 567.714 4.533 10 10 KJCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc1[N+](=O)[O-] 1084453004 MHWYIBXUOSOHKX-JJFYIABZSA-N 501.539 4.738 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(F)cn2)sc(C)c1-c1ccc(Br)cc1 1860746759 CCVXJUDDFCDQSB-UHFFFAOYSA-N 506.353 4.774 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864013599 YECUIBJPIGKQJH-OYHNWAKOSA-N 511.022 4.558 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864017450 MQVDAJZUUSMNDO-DWXRJYCRSA-N 524.621 4.980 10 10 KJCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3Cc3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865032280 ZUVRDWUPXSIHNR-IBVKSMDESA-N 536.632 4.963 10 10 KJCE CN(C)c1ccc([C@@H](NC(=O)CCCOc2ccc(Br)cc2Cl)c2nccn2C)cc1 1865931877 XQLGMCVRLGPWMA-JOCHJYFZSA-N 505.844 4.967 10 10 KJCE CC[C@@](C)(NC(=O)CCSc1nnc(-c2ccccc2)n1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867076143 TVGNFDMCRFRWGH-WJOKGBTCSA-N 567.671 4.663 10 10 KJCE CCCC[C@@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868840239 RLQXGPLMFPNGKQ-NTKDMRAZSA-N 516.480 4.585 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCc5ccc([N+](=O)[O-])cc5)[nH]c4c3)CC2)cc1 1872824909 LISYYEYZDKAYBF-UHFFFAOYSA-N 503.584 4.734 10 10 KJCE COc1ccc(OC)c(C=C2SC(=S)N(CNc3ccc(I)cc3C)C2=O)c1 2313501830 BGPOSEXLDIFXHR-UHFFFAOYSA-N 526.421 4.888 10 10 KJCE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)C1=O 2313624629 YWWVMZOAOSDJEK-UHFFFAOYSA-N 510.388 4.581 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 2314397318 ALDGLKIXHJOHRR-UHFFFAOYSA-N 520.588 4.817 10 10 KJCE Cc1cccc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)cc(Br)c3O)C2=O)c1 2314837103 OGNSOZXTQWVMQK-UHFFFAOYSA-N 526.206 4.901 10 10 KJCE C[C@@H](c1ccccc1)N1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 102840702 ZUVFYADEVFMHSW-FIEZSYLZSA-N 527.671 4.725 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 103875632 SCRYCOGASWNYDD-GRSHGNNSSA-N 542.773 4.875 10 10 KJCE Cc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c(Br)c1 105628985 YEJMIYQJMOJDAP-VJBWXMMDSA-N 530.374 4.761 10 10 KJCE O=C(COc1ccc(Cl)cc1)Nc1cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccn1 1860507528 DQFRPIXPTIVKPC-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCN(CC)CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864014789 CNFPYQIMZCXUGU-VWLOTQADSA-N 547.700 4.550 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865026184 JJUZNZBUXAEILS-DXMSMQRWSA-N 523.033 4.504 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2ncc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)cc12 1866253974 IULKAPAHUBSPTK-XMMPIXPASA-N 500.006 4.701 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867767504 HNSUPEDUFRTHPI-PXJZQJOASA-N 594.112 4.704 10 10 KJCE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868723036 GYVWGGZETPHRQM-IZEXYCQBSA-N 517.645 4.990 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(CCc3ccccc3)C2=O)cc1 1873167637 QKBXYORHEMFFGM-UHFFFAOYSA-N 510.682 4.882 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1O[C@@H](C)CC 2294353267 PHKRLDNZBIESHR-AWEZNQCLSA-N 540.398 4.662 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1Cl 2296545388 MYVDIGQYTZYMSC-UHFFFAOYSA-N 550.083 4.680 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296716286 ZFJLIKZVGOIXMX-HSZRJFAPSA-N 542.686 4.592 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Cc4ccccc4)c3)C2=O)c1 2313555842 AGYZTKSPQBIAST-UHFFFAOYSA-N 500.551 4.750 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 2313557345 AUUQHVUWQHGQCS-UHFFFAOYSA-N 570.327 4.750 10 10 KJCE COc1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4cc(C)c(C)cc4Br)C3=O)o2)c([N+](=O)[O-])c1 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CCCc1nn(CCC)c2c1[C@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865186189 KXBUEDPPOHWNLO-SANMLTNESA-N 529.685 4.606 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1 1867419684 ARARMLCEHYTABM-AARKOHAPSA-N 687.841 4.981 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867760497 LWTDPKJMOVGRQG-GRKNLSHJSA-N 515.702 4.785 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCCOC(C)C)CC2)cc1 1870621985 KUDTYBWWHUJKMB-UHFFFAOYSA-N 519.686 4.882 10 10 KJCE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1cccc(C)c1 2293476805 ZQFWATHDNPLVHV-UHFFFAOYSA-N 527.405 4.555 10 10 KJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 2294095261 MJMNBLCVIQMEIL-UHFFFAOYSA-N 511.317 4.937 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1 2294353238 GPAMETNVTHNDKR-UHFFFAOYSA-N 513.388 4.831 10 10 KJCE O=C(O)CCCCCN1C(=O)C(=Cc2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 2314401319 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CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864015894 GCQUUVBVYMFTOC-HCLVMJGWSA-N 502.615 4.761 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015976 YAGSPLZCWIEAFK-IBGZPJMESA-N 516.520 4.612 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019706 POLNFLZLQSBLLS-AREMUKBSSA-N 524.621 4.533 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029501 OTNVVMBGJBDBRE-QHCPKHFHSA-N 523.033 4.843 10 10 KJCE C[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866841014 RPJJKXAUFCEBBC-WHLCRQNOSA-N 550.586 4.852 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5[nH]c6c(OC)cccc6c5C4)nc(C(C)C)n3)CC2)cc1 1869096906 QHUNPDCJUQIBCH-UHFFFAOYSA-N 512.658 4.988 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873168757 INKLPGYMPPRRBC-UHFFFAOYSA-N 511.626 4.655 10 10 KJCE 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4.913 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864012016 PEYMOCJUCBLVJK-AREMUKBSSA-N 545.039 4.666 10 10 KJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864014445 VGGZKHTUUPHIOV-XMMPIXPASA-N 534.657 4.845 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864018070 BWZCEEYITABDRO-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867427515 LOMVFOIKYHBMHW-SAIUNTKASA-N 623.798 4.833 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867466582 KLWAVDGFUZDBPK-VSJLXWSYSA-N 676.793 4.767 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869174096 PGPAQEFWXLTENV-XIFFEERXSA-N 587.728 4.956 10 10 KJCE CCCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1OCC 2313518730 PZGXXRSTDAJRJV-UHFFFAOYSA-N 517.376 4.702 10 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IAZDAIYCJFQUQT-AVRWGWEMSA-N 508.574 4.836 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867670517 PWFWOYYQXWKKBC-JSOSNVBQSA-N 553.707 4.624 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867809093 KQTQARHKXJHDID-KAYWLYCHSA-N 570.631 4.994 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869205815 ABSZZRNSZANWFW-UHFFFAOYSA-N 563.706 4.764 10 10 KJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2296939528 PWZRXIPASIEJAE-UHFFFAOYSA-N 505.512 4.556 10 10 KJCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 2297533503 GSSNPVPOAMHNTI-UHFFFAOYSA-N 527.986 4.619 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)c1C 2313548074 LAIJYROXQGXBOL-UHFFFAOYSA-N 527.375 4.631 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c(C)c1 2314828544 GOZLDQYYBOUTDB-UHFFFAOYSA-N 508.625 4.982 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)ccc1O[C@@H](C)C(=O)O 2314934823 KMNNHVHOBYPMGV-NSHDSACASA-N 541.434 4.790 10 10 KJCE CCN(CC)c1ccc([C@@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1 20608668 CMHSMKDYYXWQOE-AJTFRIOCSA-N 527.712 4.624 10 10 KJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1cccc(OC)c1 100230521 QPQVILFPZVMFEA-HMAPJEAMSA-N 553.409 4.776 10 10 KJCE O=C(COc1cc(Cl)c(Cl)cc1Cl)NN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 100844091 LEGLOMPIJVJLQA-WCSRMQSCSA-N 518.787 4.866 10 10 KJCE O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC(=S)N1C[C@@H]1CCCO1 101013384 DJMFGXDMLWTBMV-XQGNUGGCSA-N 580.757 4.704 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377508 XILFLALOYABPSI-UQQQWYQISA-N 609.770 4.749 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccc(OC)cc4)C3=O)c3ccccc32)cc1 102838948 AAODVAWSZREZQM-CYYJNZCTSA-N 601.706 4.671 10 10 KJCE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@H](C)C3)c2)SC1=S 110559307 JTFVQSMXIJWCFW-SVVBGHPLSA-N 582.773 4.808 10 10 KJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(\C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 205969160 JNUMQKMJEMLHQQ-LGUFXXKBSA-N 599.629 4.640 10 10 KJCE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526601384 BFDYGHNWDIIENQ-DEOSSOPVSA-N 504.514 4.522 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(Br)c3OCC)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083891068 GFLGQYNIWNMBJL-HSZRJFAPSA-N 649.405 4.788 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013238 UAOHTMIIBNTVJX-HSZRJFAPSA-N 523.033 4.702 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865658079 DKMORWHTUCKMIR-HHHXNRCGSA-N 543.712 4.852 10 10 KJCE CSCC[C@@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866911147 DWWDARWKLSDKBK-XMMPIXPASA-N 539.613 4.536 10 10 KJCE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869021589 XAMJIQCEEOTKEJ-VSGBNLITSA-N 563.670 4.617 10 10 KJCE COCCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870816691 MCTCNGMGRSUULJ-UHFFFAOYSA-N 512.610 4.546 10 10 KJCE COCCCN1C(=O)C(Nc2ccc(Cl)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420770 VPCQSWHCHAWMFO-UHFFFAOYSA-N 508.962 4.884 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCCOc1ccccc1 2293594325 PYYDDQVUXQBNKS-UHFFFAOYSA-N 551.393 4.890 10 10 KJCE Cc1ccc(N2C(=O)C(=Cc3ccc(O[C@H](C)C(=O)O)cc3)C(=O)N(c3ccccc3)C2=S)cc1C 2313565228 KWBTXHFLBXHABA-LJQANCHMSA-N 500.576 4.904 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCSCC3)nc12 2360090 CWDAJIMSBCKRAL-FABDANFUSA-N 508.694 4.519 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)N=C2C)cc(I)c1O 27501373 CKWSCBDCFOMZOD-NSIKDUERSA-N 502.230 4.830 10 10 KJCE N=C1/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 33792493 HJSDJQDZMKFLDN-NJCYBXHOSA-N 505.918 4.761 10 10 KJCE COc1ccc(/C=C2/C(=O)N(c3cc(OC)c(OC)c(OC)c3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 102549039 WBJDQWLBWYVRNM-YDZHTSKRSA-N 575.574 4.765 10 10 KJCE CC[C@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 102684850 LSEAUTGHOUFVJP-LUJYGJGBSA-N 554.141 4.983 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C/c4cccc(OCC(=O)O)c4)SC3=S)cc2)cc1 210880069 FLUUNMKWEIQNHB-UCQKPKSFSA-N 534.615 4.584 10 10 KJCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC2CCCCC2)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 252008948 QSLYQDWPIBDRLC-NLJXWPIHSA-N 555.469 4.961 10 10 KJCE CCN(CC)c1ccc(/C=c2\sc3nc(CCCOc4ccc(Cl)cc4Cl)nn3c2=O)cc1 1860794521 LHBZKNZTCBUFJK-STZFKDTASA-N 503.455 4.863 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864013158 RBKNGXKKJLBQDS-AREMUKBSSA-N 542.611 4.754 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031762 NSNTVPIJUNFNJG-FDDCHVKYSA-N 502.615 4.570 10 10 KJCE CC(C)[C@@H](C(=O)N[C@@H](CO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)c(Cl)c1 1866997484 SDKBYBIMHMUYFL-XZOQPEGZSA-N 539.415 4.624 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(C)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329629 ZIIPUIHYXQBTAV-ROJLCIKYSA-N 570.734 4.671 10 10 KJCE CCCOC(=O)COc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871236532 UCQQRMDUXAVVKN-UHFFFAOYSA-N 506.647 4.878 10 10 KJCE COC(=O)c1ccc(CN2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166028 ZAARXIZKBBYQAW-UHFFFAOYSA-N 529.637 4.566 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccccc1F 2313557341 ASVCOJFVZVTBLC-UHFFFAOYSA-N 590.320 4.823 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 2313558727 IHEOPTVNWUVKMY-UHFFFAOYSA-N 539.313 4.532 10 10 KJCE COc1cccc([C@@H]2[C@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 35779897 LZWPPLXYTQMXFG-PFBJBMPXSA-N 507.542 4.643 10 10 KJCE biogenic CCc1ccc(S(=O)(=O)Nc2ccc3nc(N4CCN(c5ccc(OC)cc5)CC4)cc(C(=O)O)c3c2)cc1 102314501 VWARCNNFWGBFMY-UHFFFAOYSA-N 546.649 4.631 10 10 KJCE Cc1ccc(C)c(OCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)c1 1860511702 NAPVSTZGOXYIBI-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCc1sc(NC(=O)C(=O)NCc2ccccc2F)c(C(=O)OC)c1-c1ccc(Br)cc1 1860763923 RQBRDLFNFPNDJX-UHFFFAOYSA-N 519.392 4.921 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861926413 VRRAFAJACLLUOE-VWLOTQADSA-N 512.437 4.692 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865033027 QADRQQVXLOJVLJ-XMMPIXPASA-N 544.995 4.620 10 10 KJCE CC[C@](C)(NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867084163 BYELLAIFTJRIDU-XIFFEERXSA-N 584.673 4.908 10 10 KJCE CCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867286716 WRXPCMGWBYDEJP-LJQANCHMSA-N 534.494 4.666 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867786539 WVWAXNYHZOGHEC-QCENPCRXSA-N 564.731 4.503 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868710883 XFUDSWJNJXUVIL-RRPNLBNLSA-N 541.758 4.729 10 10 KJCE CCN(CC)CCCCN1C(=O)C(NCCCN(CC)CC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167789 XPPCPMOGGDBAPG-UHFFFAOYSA-N 521.750 4.618 10 10 KJCE CC(C)OC(=O)c1ccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1 2293449738 ULEYIVLSSUOOQP-UHFFFAOYSA-N 547.511 4.508 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C(C)=Cc3ccccc3Cl)CC2)cc1 2330113239 WPBBZEFBEZJGSM-SSEXGKCCSA-N 576.093 4.754 10 10 KJCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C2=O)cc1 59247773 UQIFDEUMYFHTLG-MTJSOVHGSA-N 507.930 4.511 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)cc1 100860381 WJXATJPEDUYDCC-XIEYBQDHSA-N 571.703 4.870 10 10 KJCE CCOc1cccc(CN2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1O 102081084 LSLTYIZRBJHDLF-AMGIVPHBSA-N 575.710 4.890 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1OC 102520455 PMAIZMJJSOVVFK-JLPGSUDCSA-N 563.657 4.658 10 10 KJCE COC(=O)c1ccc(C(=O)OC)c(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)c1 526602367 OLYISVRKXLFQAC-AREMUKBSSA-N 525.513 4.881 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010022 IEROWQYLRZUXRV-AREMUKBSSA-N 544.652 4.946 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865031160 AHQIMZFNWBZUQN-KRWDZBQOSA-N 522.911 4.519 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031650 LLLKUOHHIOWQCN-IEGUWTFLSA-N 502.615 4.570 10 10 KJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C(C)(C)C)cc1 1865125746 UPRJZHKKFHLEBS-AREMUKBSSA-N 529.685 4.561 10 10 KJCE CCOc1cc(/C=C2/C(=O)N(Cc3c(F)cccc3Cl)N=C2C)ccc1OCC(=O)N(CC)CC 1865675218 VBRVQAXMFOVBRI-CPNJWEJPSA-N 501.986 4.927 10 10 KJCE CC(C)(NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866873419 URDIXHXTFKXELO-UHFFFAOYSA-N 508.578 4.554 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@H](C)c3cccc(Cl)c3)CC2)cc1 1868990342 VHKJYDGHBZOAGI-SMSORMJASA-N 578.109 4.844 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3C[C@@H](C)N(CCCOC)[C@H](C)C3)n2)cc1 1869328637 HVVKBQQWNXKYNM-CLJLJLNGSA-N 574.770 4.813 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@H](O)C[C@H]4c4ccc(OC)c(OC)c4)nc(-c4cccnc4)n3)CC2)cc1 1869376090 KDXRMMBMCHYSBG-XCZPVHLTSA-N 582.705 4.593 10 10 KJCE CN(c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](CN)c1cc(Br)c(Br)o1 2194919678 YOWLEBXBRNAPMX-HNNXBMFYSA-N 503.235 4.966 10 10 KJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813465 BIYOEDSVCJPQQS-XESZTULISA-N 530.716 4.521 10 10 KJCE 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525.876 4.641 10 10 KJCE CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 2314476900 XRWVTGIJXOLOLE-OALUTQOASA-N 568.746 4.558 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(NC[C@H]3CCCO3)nc12 100886410 AZFCWAXIBZQQEO-XNHPLOEXSA-N 527.071 4.649 10 10 KJCE CCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 110525131 OJKZPCQPPJQLSF-XYGWBWBKSA-N 549.766 4.618 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(CC)CC)cc2)cc1 526308908 BXCOEPUCXUYSFH-AREMUKBSSA-N 521.639 4.636 10 10 KJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c1 526502477 WKRPKOCNQWTBLM-NDEPHWFRSA-N 515.610 4.664 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526632124 JUPWBPZOKWTOAZ-AREMUKBSSA-N 520.582 4.853 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)/C(=C\c3cc(Cl)cc(Br)c3O)SC2=S)CC1 1858591397 JNFASVLUWIQSQH-RIYZIHGNSA-N 505.843 4.630 10 10 KJCE 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KJCE COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NC[C@@H]5CCCO5)cc4)nc(C)c3C)CC2)cc1 98015339 XAWYGYHRVJPECG-MHZLTWQESA-N 547.725 4.630 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(I)c1O 100540921 BVVWOTLZVKQYHJ-VGOFMYFVSA-N 513.129 4.574 10 10 KJCE COc1ccc(/C=C/C(=O)Oc2cc3c4c(c2)/C(=C2\SC(=S)NC2=O)C(=O)N4C(C)(C)C=C3C)cc1OC 101596402 MEOKBJCGRLBWAG-UJLWEONASA-N 548.642 4.724 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 261366796 TWKQTXUIMLUBMK-DNXZYYDNSA-N 514.717 4.726 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 1084421023 WIDFFMBDHMEICU-NDEPHWFRSA-N 618.553 4.773 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCC[C@H]3C)nc12 1772721372 NVHGSGLYTOTPOX-RHTHQAGFSA-N 508.644 4.922 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864018728 BHCDVSQBYVUNAU-RUZDIDTESA-N 545.039 4.861 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029996 ZUNAUUCSMAARMW-HSZRJFAPSA-N 523.033 4.987 10 10 KJCE COc1ccc(C2=NN(Cc3cc(C)ccc3C)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665099 BAICRXHCTQETEQ-ZTKZIYFRSA-N 555.675 4.862 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867851594 WJKXGXWYSRVJMF-FQLXRVMXSA-N 534.651 4.715 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867855435 ILVHYBDQLWIYBE-WDYNHAJCSA-N 516.661 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868648508 SMCULBSDPJUSRY-GDLZYMKVSA-N 573.093 4.931 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5[nH]c6c(OC)cccc6c5C4)nc(-c4cccnc4)n3)CC2)cc1 1869369867 TUFFZVXOJCQWNW-UHFFFAOYSA-N 547.663 4.926 10 10 KJCE CCCCCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2296714365 PEMKBWSGRKJJBV-UHFFFAOYSA-N 511.463 4.812 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)cc(OC)c1OC 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CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865029652 SBHGASCJMNKPFP-RUZDIDTESA-N 510.594 4.589 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865030407 JENUUOBGCVZCET-SANMLTNESA-N 539.636 4.763 10 10 KJCE COC(=O)c1ccccc1N1C[C@@H](C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)CC1=O 1865923322 JKXCXTDSEKXBRI-IBGZPJMESA-N 520.607 4.905 10 10 KJCE CCC[C@H](NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866780115 UCKZGAZIMNRUSA-DEOSSOPVSA-N 528.605 4.726 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cccc(Oc3ccccc3)c2)N2CCCCC2)cc1 1867691638 VQYPINJEKZHIOH-NDEPHWFRSA-N 500.643 4.618 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3nc(-c4ccc(C(C)C)cc4)oc3C)C(C)C)CC2)cc1 1868994821 SACXFTCDIMIWEL-GDLZYMKVSA-N 532.685 4.814 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@@H]4c4ccc(OC)c(OC)c4)nc(-c4cccnc4)n3)CC2)cc1 1869376089 KDXRMMBMCHYSBG-IXCJQBJRSA-N 582.705 4.593 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccc(C)cc4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871525926 YNHFBWUMRBDQJA-UHFFFAOYSA-N 516.049 4.946 10 10 KJCE CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CC2CCC(C(=O)OC(C)C)CC2)C1=O 1873164418 AXNJFFHMYJMVDM-UHFFFAOYSA-N 505.659 4.932 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCCOc4ccccc4C)c(OC)c3)C2=O)cc1 2293441710 MIAYZRZUYUGTGO-UHFFFAOYSA-N 536.968 4.790 10 10 KJCE CCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 2314476638 SEXRAFIQAFGUFQ-PMACEKPBSA-N 582.773 4.948 10 10 KJCE CCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 40066790 HVZWQRLUJQSBJM-JCMHNJIXSA-N 510.685 4.678 10 10 KJCE CC[C@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 100851028 PZLLUCYEJZQUHK-QMFLXTPQSA-N 548.690 4.902 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 101012817 ZFJLIKZVGOIXMX-WDRHXJDGSA-N 542.686 4.592 10 10 KJCE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 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COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccccc3)N3CCCC3)ncnc21 1875223277 OFODZDHTBFPQHK-HKBQPEDESA-N 597.764 4.688 10 10 KJCE CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2038109071 SVGPLFPEAINDGO-NRFANRHFSA-N 539.704 4.715 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2294229027 GBKAAQLOEWRVLI-UHFFFAOYSA-N 530.602 4.927 10 10 KJCE CCOCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 2296715280 DMGWGPILHAVUNU-UHFFFAOYSA-N 549.596 4.689 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 2313561209 ZCULLDXNHOWQIC-UHFFFAOYSA-N 542.773 4.875 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)ccc1O 2314397359 DWIQFHUSKGOPOW-UHFFFAOYSA-N 519.815 4.672 10 10 KJCE COC(=O)c1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 3741959 ODXMDDGNAYXKTM-UHFFFAOYSA-N 532.560 4.686 10 10 KJCE CCCN1C(=O)COc2ccc(-c3csc(NS(=O)(=O)c4ccc(Br)cc4)n3)cc21 11857489 AZFCTZJBZYLBQH-UHFFFAOYSA-N 508.419 4.509 10 10 KJCE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 101378602 NPAFHXCSMGAIED-BHGWPJFGSA-N 546.476 4.939 10 10 KJCE O=C1/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 102687512 FFRWXEDQRDWBJQ-PIUNUONSSA-N 549.077 4.895 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Br)c1OC 1084393562 SAFRZUPFUISWQC-ZSOIEALJSA-N 552.219 4.902 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864015872 FKFXLVIVJORENF-DHKKADIGSA-N 526.637 4.761 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@@H]2c1ccc(O)c(O)c1 1864017720 SOGKNUPTCXWQKA-RUZDIDTESA-N 540.620 4.699 10 10 KJCE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864022539 OEKHNMSYZWJWAG-XOBRGWDASA-N 546.546 4.550 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865024618 GBGQCFZNPSISKD-MUUNZHRXSA-N 549.675 4.546 10 10 KJCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865027254 WXMDSJXTNGLJKC-DLHNHZGJSA-N 546.643 4.912 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865329836 MNHSOUZHIFVACS-AREMUKBSSA-N 541.677 4.548 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3ccccc3OC)c(C)cc2=O)sc(C)c1-c1ccc(C)cc1 1866285307 UIUHOIFEJJUPOF-UHFFFAOYSA-N 503.580 4.934 10 10 KJCE O=C(N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)[nH]n1 1867158780 IUNZMFPEMZPTDD-NDEPHWFRSA-N 587.661 4.918 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867692337 FAQQQSLUKMEUTL-HEVIKAOCSA-N 728.381 4.802 10 10 KJCE CC[C@H](NC(=O)C[C@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869021587 XAMJIQCEEOTKEJ-IZLXSDGUSA-N 563.670 4.617 10 10 KJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2[C@@H](Cc3ccccc3)COCC2(C)C)n1 1869120717 GTYASADXZLRKHJ-VWLOTQADSA-N 501.675 4.601 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873165358 LADUKOZCDCSBBQ-UHFFFAOYSA-N 549.627 4.829 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873167776 XDPDNHTXNDTYCO-UHFFFAOYSA-N 556.707 4.871 10 10 KJCE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)c1 1873418549 NYWOLYQHAATLFS-UHFFFAOYSA-N 506.562 4.668 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873419115 PRUBNAAQCHKHDF-UHFFFAOYSA-N 546.675 4.633 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)c(Br)cc1O 2294106416 NESGDJYTDRRFCF-UHFFFAOYSA-N 500.132 4.527 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCCCC4)=NC3=O)c2)CC1 2314476495 PMGWWFKULJXDPP-UHFFFAOYSA-N 633.796 4.959 10 10 KJCE COc1cc(C=C2SC(=S)N([C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 2314837917 YGBSCUYFFRJPSP-LLVKDONJSA-N 512.531 4.657 10 10 KJCE CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 60392779 RAGOYPUPXAKGKH-NTAUFNCHSA-N 700.791 4.573 10 10 KJCE world CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(OC)c(OC)c(OC)c1 100208074 JOVMWTZTPWSJIY-WOJGMQOQSA-N 502.361 4.742 10 10 KJCE O=C(O)CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 101964822 DTVBLXMHLYWNGY-WQRHYEAKSA-N 553.431 4.672 10 10 KJCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)CC2)cc1 101979261 NGGAEFQZQORXGV-LOYHVIPDSA-N 558.748 4.918 10 10 KJCE CC1=NN(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)c2ccccc12 105571004 DFYGTEYIWRLCOY-JMSHBIQUSA-N 536.551 4.993 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 109966415 JAAAPWGUAQUKMB-BWAHOGKJSA-N 571.703 4.870 10 10 KJCE CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 143356817 PCWQJQNAVVPJPG-HAHDFKILSA-N 540.711 4.687 10 10 KJCE Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 150449648 FNGXFXALZXKBGY-ANYBSYGZSA-N 698.852 4.764 10 10 KJCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254737919 XATACWSLWUMSHH-AREMUKBSSA-N 529.065 4.593 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 1084054313 XOYMPUUJTIVDQQ-RIYZIHGNSA-N 664.365 4.879 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)cc2)sc(C)c1-c1ccc(OCC)cc1 1860762585 KLQYQJQOBUVCIS-UHFFFAOYSA-N 510.612 4.605 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864011344 HCPAIPCCUIDVBM-AREMUKBSSA-N 545.039 4.748 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865034463 WZFLSZLIABWFCJ-VWLOTQADSA-N 540.620 4.733 10 10 KJCE Cc1cc2nc(C(=O)N[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)cc(C3CC3)n2n1 1867169902 SVUWJVMAGQZUOS-GDLZYMKVSA-N 555.594 4.800 10 10 KJCE CCCC[C@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867538215 XBDGHAMPDHDSTA-WUFINQPMSA-N 508.707 4.783 10 10 KJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4cccnc4)n3)cccc21 1868564657 QLWMIGWEEORVOR-LJAQVGFWSA-N 570.584 4.874 10 10 KJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C(=O)O)cc3)C2=O)ccc1Br 2294093817 RTCYHPCZYVCGSQ-UHFFFAOYSA-N 535.350 4.701 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 2294118607 DVKNRCZZCJDSPD-UHFFFAOYSA-N 565.376 4.710 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c1C 2314509906 ZPKKAKOMDCXEKT-UHFFFAOYSA-N 523.636 4.950 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccccc1 9259613 GPAMETNVTHNDKR-UNOMPAQXSA-N 513.388 4.831 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)cc1 102678580 JHBKJTKRUKHDRT-CYYJNZCTSA-N 589.695 4.512 10 10 KJCE Cc1cccc(C)c1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 102842268 CKVNSRRWQMCJCL-ZNTNEXAZSA-N 537.663 4.505 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526481437 ZGHAEOQVZNTBHJ-VWLOTQADSA-N 505.523 4.739 10 10 KJCE CC(=O)N[C@H]1[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-] 616584116 XOOBJDMHDWWHLZ-WNJKUOTESA-N 516.598 4.914 10 10 KJCE CC(C)c1nc2c(Cl)cc(C(F)(F)F)cn2c1/C=C1/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O 1858592218 JDPUBFQUSUIHBP-HOVAHTAHSA-N 535.953 4.649 10 10 KJCE O=C(COc1ccccc1Cl)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860511694 MRQYIMPFEIJECV-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)CCCC2 1864016673 VFGGQYDIQWNZBF-HFJWLAOPSA-N 536.632 4.949 10 10 KJCE CN(C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865031600 KLXFTYZXXNDNIB-RUZDIDTESA-N 537.620 4.831 10 10 KJCE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(N2CCCC2=O)c1 1866611010 KDEBNCRHGANNPA-NDEPHWFRSA-N 575.596 4.708 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867057433 IHLFOFCAOXVTNV-QVKOCQLISA-N 572.617 4.857 10 10 KJCE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)ccc21 1867203234 FQPNIBDKGIEMED-NDEPHWFRSA-N 557.606 4.826 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(C=C3SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 2296247597 IPDXPJYHCOANRI-UHFFFAOYSA-N 533.723 4.577 10 10 KJCE CCOc1cc(C=C2C(=O)N(Cc3cccc(F)c3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139738 MNCGVFGDTUJDMZ-UHFFFAOYSA-N 521.511 4.816 10 10 KJCE O=C(CCCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1nccs1 101968102 ZKYZTPDCWFWLHE-GHXNOFRVSA-N 563.318 4.994 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)Nc4ccc(F)cc4)c4ccccc43)SC2=S)cc1OC 102678177 XLONZTSWZBZRJN-OCEACIFDSA-N 577.659 4.642 10 10 KJCE CCOc1cc(/C=C2/C(=O)N(c3ccccc3Cl)N=C2C)cc(I)c1OCC(=O)O 103069922 CAYGDSFZWXIHPY-RIYZIHGNSA-N 540.741 4.613 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 150591341 CTMLWSARQRYOAV-OOAXWGSJSA-N 667.792 4.672 10 10 KJCE CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1 1084459172 GQMGQWZIFNHEGG-NHDPSOOVSA-N 523.998 4.676 10 10 KJCE CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 1084483330 MOLHHDLLQJBPJS-MHZLTWQESA-N 517.695 4.768 10 10 KJCE CC[C@@](C)(NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862220731 ZYQZQUTZQOWUHD-SSEXGKCCSA-N 509.691 4.785 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1862259848 RIMIWVLHKQWFOF-VWLOTQADSA-N 512.437 4.692 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@H]2c1ccc(O)c(O)c1 1864021552 CMWHWAABHCEYKM-SZNDQCEHSA-N 542.558 4.784 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864022304 LJSPUYDNGMQCLR-BVZFJXPGSA-N 540.620 4.877 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCCCC2)=C(N)O3)cc1 1865033142 STEXIRNGQQVXOL-DEOSSOPVSA-N 532.641 4.723 10 10 KJCE COc1ccc(C2=NN(Cc3ccccc3Cl)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679518 QWOIYXVHXSBWFF-UDWIEESQSA-N 505.914 4.858 10 10 KJCE CC[C@@H](NC(=O)[C@@H](C)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866944414 PGKVMDVXRRSSRA-YCRPNKLZSA-N 519.395 4.862 10 10 KJCE CCCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867032002 UWIGZGDWHSNWJJ-AZGAKELHSA-N 550.615 4.989 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1[N+](=O)[O-] 1867846958 RRRAUIKEWSLLGF-URLMMPGGSA-N 588.665 4.692 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3Cc3ccncc3)CC2)cc1 1870627114 ABIQJFHLJOJFMU-UHFFFAOYSA-N 510.638 4.510 10 10 KJCE CCCCc1ccc(Nc2nc(=NCc3ccco3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871501737 JGBJBFGHNYSAAT-UHFFFAOYSA-N 513.646 4.920 10 10 KJCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccccc3)N3CCCC3)ncnc21 1875203303 PMDGGBPGGMLGBY-LJAQVGFWSA-N 553.711 4.671 10 10 KJCE CCOC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(OC)c(OC)c(OC)c1 2297307999 JOVMWTZTPWSJIY-UHFFFAOYSA-N 502.361 4.742 10 10 KJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314509701 XCAHVOQMTBMZNW-UHFFFAOYSA-N 581.679 4.999 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C(C)=Cc3cccc(Cl)c3)c3ccccc3)CC2)cc1 2330128906 VDPWVSOASLKJJR-MHZLTWQESA-N 504.030 4.958 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccc(C)cc1 103614047 IPGRDCBSBIXABQ-JHLMGVGISA-N 531.638 4.604 10 10 KJCE COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084136359 MMAVLKJBLMOTEJ-ZROIWOOFSA-N 508.166 4.503 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864012894 LSHCNFXHZAEIMT-RUZDIDTESA-N 546.574 4.584 10 10 KJCE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025728 CMBNBILEWJQICD-JOCHJYFZSA-N 529.424 4.665 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031903 QWKGJQGBUQUVRV-VWLOTQADSA-N 522.605 4.966 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865564078 VQDWRHQSUPNLFN-HHHXNRCGSA-N 543.712 4.852 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873168194 MEISYLDADRERBV-UHFFFAOYSA-N 535.600 4.772 10 10 KJCE CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2040469756 LIYTVFAOBHTWGS-OAQYLSRUSA-N 539.704 4.716 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 2293531488 MOWCESNQGBHNFR-UHFFFAOYSA-N 560.603 4.543 10 10 KJCE Cc1ccc(OCCn2cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1 2297508853 RBPXAZAGWPDPFY-UHFFFAOYSA-N 557.672 4.567 10 10 KJCE CCCC1=NN(c2ccc(OC)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2313681928 QTGCZBHKRLEFNH-UHFFFAOYSA-N 541.033 4.828 10 10 KJCE COC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314769348 PBQBYTOALFLJMB-JOCHJYFZSA-N 500.601 4.719 10 10 KJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1OC)C(=O)O 2314932554 NUEQZDHFJFIOKC-OAHLLOKOSA-N 541.434 4.790 10 10 KJCE CCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2/SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 105664780 BUMHIANYGKOJCC-OINMWHHXSA-N 562.761 4.888 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030609 NCZGASFFTXRCAE-MZNJEOGPSA-N 537.060 4.902 10 10 KJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CN3CCOCC3)CC2)n1 1868228885 ZTGQGYYJRRHIEV-UHFFFAOYSA-N 525.653 4.668 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(N5CCCCCC5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869189640 NTWGJTRLIKVDGO-UHFFFAOYSA-N 506.739 4.954 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3ccccc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873170581 GJGAORLBZQAPQI-UHFFFAOYSA-N 507.638 4.683 10 10 KJCE COC(=O)c1ccccc1NC(=O)CCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1873921214 MAHJHPFOHOMDOG-MUUNZHRXSA-N 508.578 4.604 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296705036 HTHYVWNCRMFROZ-UHFFFAOYSA-N 504.681 4.949 10 10 KJCE O=C1C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1C[C@H]1CCCO1 2296714165 AWBLPFIMSDNFBV-MRXNPFEDSA-N 515.454 4.746 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC[C@H]3C)nc12 2314414226 SVUNHUIHWVMQIV-LJQANCHMSA-N 586.743 4.585 10 10 KJCE O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2314415088 XCSUNEZPFPFMFL-UHFFFAOYSA-N 557.676 4.562 10 10 KJCE COc1ccc([C@@H](CNC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)N2CCCCC2)cc1 2314625191 KRTDXHONUUSKCC-XMMPIXPASA-N 523.724 4.938 10 10 KJCE O=C(CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)Nc1cc([N+](=O)[O-])ccc1O 2314937085 MHEZJAAMHXGEKB-UHFFFAOYSA-N 509.512 4.522 10 10 KJCE O=C1/C(=C/c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 110392870 ILNNWJWKQNTZOT-BWAHOGKJSA-N 571.703 4.557 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(O)c(O)c2)cc1 526501644 QBITYEQHAZDARG-HHHXNRCGSA-N 502.567 4.780 10 10 KJCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864010805 WZBHVNUVRATNAZ-BSFNXWSHSA-N 520.674 4.674 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864012562 DBOXQWBKVOBBJC-RUZDIDTESA-N 545.039 4.960 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018016 ASNLOGRRZDWMRI-RUZDIDTESA-N 545.039 4.878 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864021432 BTNLLHBOKHNCDM-KUHUBIRLSA-N 516.520 4.541 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865035301 QFFCSUXDYCVPFS-QHCPKHFHSA-N 525.049 4.902 10 10 KJCE CC[C@](C)(NC(=O)[C@@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868847312 GUFWBEYBLFSFST-SQHAQQRYSA-N 530.507 4.831 10 10 KJCE CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 2296714418 XUSNOLNWZFNILA-UHFFFAOYSA-N 503.443 4.638 10 10 KJCE Cc1cc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(I)c1 2297454393 YDJQAAWSURFTQQ-UHFFFAOYSA-N 515.326 4.931 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)c(C)c1C 2297577654 LKZJGFRBMHWSSG-UHFFFAOYSA-N 521.458 4.923 10 10 KJCE CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)c(OC)c2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12 2384432 KQVDLVNSSWDSEM-PFBJBMPXSA-N 509.558 4.700 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(N3CCc4ccccc4C3)nc3c(C)cccn3c2=O)SC1=S 35131745 NYYWXWLACUCNRK-CJLVFECKSA-N 504.681 4.957 10 10 KJCE CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/Nc1c(C)nn(Cc2ccccc2)c1C 1084626056 DSZXEXTZWVVSIH-FYJGNVAPSA-N 511.367 4.871 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864018639 POBIMYMHJZNZIW-GKVSMKOHSA-N 528.584 4.616 10 10 KJCE CC[C@@H](NC(=O)c1c(Cl)ccc(Cl)c1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867754030 SBDQNRWVGAHAJV-DHIUTWEWSA-N 535.516 4.920 10 10 KJCE CC[C@@](C)(NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867936096 LLNXTPWCNJKIGH-YIXXDRMTSA-N 503.062 4.787 10 10 KJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2ccc(F)cc2)n1 1868227958 HYHFMPOCDMNQLA-HHHXNRCGSA-N 535.579 4.936 10 10 KJCE CCc1cccc(OC2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(CCOC)n3)CC2)c1 1869113165 PWJFIFIPPFHOLE-UHFFFAOYSA-N 531.701 4.611 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5ccncc5)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869276996 WPWYLFVBYGWDOS-MHZLTWQESA-N 526.616 4.591 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279549 KOZXGXHFCLKVSY-UHFFFAOYSA-N 581.696 4.903 10 10 KJCE CCOc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1 2297064500 FBVXCUDTUFXNEH-UHFFFAOYSA-N 518.643 4.515 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@@H]2CCS(=O)(=O)C2)cc1 54421798 QBUJNCWHXGMDJR-NFBKMPQASA-N 507.096 4.786 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)C2=O)cc1 101354020 ZDQJZVPRCMRNDY-BIAHXVBSSA-N 553.750 4.950 10 10 KJCE CCOc1c(Br)cc(/C=C2\SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 101737291 VAYPMVCORGBNDF-XUDLPTGHSA-N 522.442 4.972 10 10 KJCE CC[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862236869 DXHSZRCDGVZNOO-HXUWFJFHSA-N 517.470 4.590 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1864008767 RSTDRAIFMBYGEM-VWLOTQADSA-N 531.012 4.873 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019297 HYXLRSPQAMBOTE-QFIPXVFZSA-N 537.041 4.614 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2CCCc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)cc1 1865027822 LXGHWAWBITZUKZ-AREMUKBSSA-N 508.578 4.574 10 10 KJCE CCCC[C@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866623340 RUXJCWVISFLDQT-DEOSSOPVSA-N 564.598 4.561 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CCc3ccccc3OC)CC2)n1 1868274670 GWRDZYWBMWDZQS-UHFFFAOYSA-N 547.659 4.931 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868645375 OQEPOXSBWXBDEF-GDLZYMKVSA-N 574.628 4.556 10 10 KJCE CC/C(=C\C(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1)c1ccc(OC)cc1 1868666711 USBDLKIPMUHPBX-PIKQWGIYSA-N 513.638 4.704 10 10 KJCE COc1ccc([C@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858387 XDCKUHXYQVLGNX-XZWHSSHBSA-N 547.671 4.659 10 10 KJCE CNC(=O)COc1cn(CCc2ccc(OC)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016492 JYRPMIYUNTUXIY-UHFFFAOYSA-N 512.610 4.580 10 10 KJCE CCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539857 HFSOPNMMGILJIU-UHFFFAOYSA-N 516.477 4.703 10 10 KJCE COc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4C(c5ccccc5)=CSC4=NC3=O)cc2)cc1 2296394091 TWJIPUQXMAQJLD-UHFFFAOYSA-N 517.588 4.767 10 10 KJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)cc2)C1=O 2296546199 TWSVLRMKFZKJMI-UHFFFAOYSA-N 522.696 4.773 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1OC 2314764608 HQQRJBWTIPCUCR-UHFFFAOYSA-N 513.822 4.666 10 10 KJCE COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2)o1 2174794 MZMHIUXJAZRUAV-XKZIYDEJSA-N 554.386 4.719 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 100851202 NLQAXLULZZDODS-LSKIEAMNSA-N 541.098 4.671 10 10 KJCE O=C(CCN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1nccs1 101966922 ZVWGIVCMKVADGC-WDZFZDKYSA-N 549.291 4.604 10 10 KJCE CCOc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c(Br)c(Br)c1O 103699022 ATQPVNMQEHXKSS-SDQBBNPISA-N 530.600 4.739 10 10 KJCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 143249823 PIDRPRXNKDLKLM-MYKKPKGFSA-N 562.648 4.930 10 10 KJCE O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1 1084187582 PSUVUHXGIWUMTK-JWGURIENSA-N 505.368 4.733 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012949 MTXMUWFAHVKTEB-QHCPKHFHSA-N 525.049 4.950 10 10 KJCE NC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3)c2O1 1864015466 RUPJZSRTUIDAFF-FQEVSTJZSA-N 528.531 4.505 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864019291 XVSZQRFYGVIEGC-QFIPXVFZSA-N 511.022 4.559 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@@H]2c1ccc(O)c(O)c1 1865033885 JQRPFBKHDLZZHC-HXUWFJFHSA-N 528.531 4.643 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867473463 QRKUCPLETPQRMY-GPOMZPHUSA-N 658.803 4.628 10 10 KJCE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867522327 DVNQUDVNQVVBQE-LOYHVIPDSA-N 587.765 4.533 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868847169 CKNPBEILKSVWMQ-CONSDPRKSA-N 575.681 4.576 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H](CS(=O)(=O)c5ccccc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869180206 XYUVUOQKIFPRCJ-XMMPIXPASA-N 563.768 4.800 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCCOc4cccc(C)c4)cc3)CC2)cc1 1872719854 CTJCYPPVLWSTOM-UHFFFAOYSA-N 510.656 4.753 10 10 KJCE O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 2296848730 ZRFJNKQOUHMFPQ-UHFFFAOYSA-N 524.671 4.701 10 10 KJCE Cc1c(NC(=O)CCCCCN2C(=O)C(=Cc3cccs3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297464399 ZFJPIEBODZUPED-UHFFFAOYSA-N 526.709 4.946 10 10 KJCE O=C1c2ccccc2-c2onc3c(N4CCN(c5ncccn5)CC4)cc(Nc4ccc5c(c4)OCO5)c1c23 9780325 HGVVZQXEUCOYGR-UHFFFAOYSA-N 518.533 4.628 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)Nc4ccccc4C)c4ccccc43)SC2=S)cc1OC 102841773 WDWHUWLXZZUMHZ-CYYJNZCTSA-N 573.696 4.812 10 10 KJCE COc1ccccc1OCCOc1c(Cl)cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 104484762 AHCGASJHQZPAPQ-UNWMBJBYSA-N 533.031 4.755 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029538 PNPDHJDATLSRCH-QUGAMOGWSA-N 510.594 4.841 10 10 KJCE COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665157 DMGMUNBXSZOQRP-NHFJDJAPSA-N 527.621 4.558 10 10 KJCE CCC[C@@H](NC(=O)Cc1nc(-c2ccc3c(c2)OCO3)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867192579 XFCSTGFBJQODMH-HSZRJFAPSA-N 565.582 4.620 10 10 KJCE CN(C)[C@@H](C(=O)N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 1867278872 CFRIDQLKJMBERB-LMSSTIIKSA-N 578.694 4.517 10 10 KJCE CCOc1ccc(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867537909 NTFXGOKDHOJXDD-KYJUHHDHSA-N 528.697 4.966 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867770431 NWEVYVHTAUJRNM-ILBGXUMGSA-N 530.069 4.556 10 10 KJCE CCCN(CCC)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)n1 1868603308 WSTZBVANYPPCKX-GDLZYMKVSA-N 529.685 4.537 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C(C)(C)C)cc4)n(-c4ccc(C)cc4)[nH]3)CC2)cc1 1869970036 MCEAZETWJALYED-UHFFFAOYSA-N 524.669 4.883 10 10 KJCE COCCN1C(=O)C(Nc2ccc(NC(=O)C(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420898 YKKKGESFIGZHQQ-UHFFFAOYSA-N 500.599 4.527 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)c4ccc5nc(C)c(C)nc5c4)cc3)CC2)cc1 1874752356 ZQWZOBQUDASHBX-UHFFFAOYSA-N 523.637 4.903 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4cc(C(=O)O)ccc4Cl)o3)C2=O)cc1 2294276887 ADKFITCJOJSAMQ-UHFFFAOYSA-N 512.927 4.982 10 10 KJCE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S 2296729445 LBYVICFCQPXGJX-UHFFFAOYSA-N 582.773 4.952 10 10 KJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 2297347567 ISEHXXHSRDWBQE-UHFFFAOYSA-N 502.346 4.579 10 10 KJCE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 2314476964 YVQYTAWQCXJVDC-UHFFFAOYSA-N 582.773 4.952 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314829270 UUDIWDMUSWNJQR-NQSCKRDGSA-N 576.737 4.739 10 10 KJCE Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33473362 MYRCSWCQKPKSKX-BKUYFWCQSA-N 508.644 4.780 10 10 KJCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 101509973 QYNXQFBOJVPPCZ-PDGQHHTCSA-N 529.188 4.977 10 10 KJCE C[C@@H](c1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105526415 UMYPTLFVVAEZIW-ABDYDURRSA-N 530.374 4.701 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccc(O)cc3)(C(=O)O)[C@@H]2C1=O 252370508 YCORIHITENVVQL-XZSZPMDUSA-N 593.474 4.501 10 10 KJCE CC(=O)N[C@H]1[C@H](N=[N+]=[N-])O[C@@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1083805086 XOOBJDMHDWWHLZ-XPLNXOJDSA-N 516.598 4.914 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)ccc21 1860602158 SMPYDUQTLSXJSW-UHFFFAOYSA-N 506.480 4.972 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864016740 WPGVRHAGANNZKK-CJAUYULYSA-N 540.620 4.952 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035434 TZVJRTWWPXXZNG-HSZRJFAPSA-N 523.033 4.512 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867203068 COKBRBQQEVOVEH-XMMPIXPASA-N 537.616 4.643 10 10 KJCE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCc3ccccc3)C2=O)C1 2296715336 PFJKPLWOIZKRDV-OALUTQOASA-N 504.681 4.621 10 10 KJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 2296848627 MQAPUNPSAKDJJW-UHFFFAOYSA-N 529.599 4.925 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(Oc3ccccc3Cl)nc12 2314509720 XMSFCYMWZMKXIT-UHFFFAOYSA-N 516.000 4.515 10 10 KJCE COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccccc1Cl 33248646 RNYCYGCYJDHHMW-FYJGNVAPSA-N 512.012 4.869 10 10 KJCE COCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccccc2Cl)C1=O 33795856 JEVSIBPGKHNRSN-CPNJWEJPSA-N 515.060 4.506 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 54311064 QZEXFYGWRDEKMU-RCZVLFRGSA-N 500.705 4.948 10 10 KJCE CCCOC(=O)CCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 101741520 CDVWQAMGCTYXQW-HMMYKYKNSA-N 599.569 4.784 10 10 KJCE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 110527144 MVIAIHGQYNHBRH-IWIPYMOSSA-N 553.729 4.761 10 10 KJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526603860 PWLWLXWWTVNURJ-SSEXGKCCSA-N 526.681 4.956 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864012721 HQMBTPJWUUUSLQ-XMMPIXPASA-N 504.631 4.605 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864012761 IRAMDHFOIGCLSS-VWLOTQADSA-N 528.609 4.516 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018984 FZYBLOLVVPXHRQ-RUZDIDTESA-N 545.039 4.878 10 10 KJCE COc1ccccc1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867912640 AESPKOIZKCSREM-WDYNHAJCSA-N 546.687 4.585 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2Cc2ccc(Br)cc2)n1 1869109459 SIYVNBAESOGKOB-RUZDIDTESA-N 566.544 4.975 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cc5ccccc5o4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969317 AFFXVROBBQWNIN-UHFFFAOYSA-N 508.582 4.909 10 10 KJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873166438 PTVLTDRSCKCTPJ-UHFFFAOYSA-N 535.600 4.901 10 10 KJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1892140525 BTFWIVXCQZINOL-LTMIRXACSA-N 542.023 4.817 10 10 KJCE CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)NC1=S 2313562513 UUUAMJWCRAAVKD-UHFFFAOYSA-N 507.999 4.839 10 10 KJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2313681616 JHNDOGITOQLVQM-UHFFFAOYSA-N 528.997 4.959 10 10 KJCE CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2313681794 NNHLFWJBIDRFQF-UHFFFAOYSA-N 540.030 4.649 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3cc(Br)cc(Br)c3O)SC2=S)cc1 2314831720 QOOOMGOFGIZZAQ-UHFFFAOYSA-N 663.435 4.965 10 10 KJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842323 PFHCKAGNFACMJX-MRXNPFEDSA-N 569.444 4.530 10 10 KJCE O=C(O)CCCCCCCCCCN1C(=O)/C(=C/c2c(N3CCC4(CC3)OCCO4)nc3ccccn3c2=O)SC1=S 109561124 IIBABYCYJGMNDS-LNVKXUELSA-N 614.790 4.835 10 10 KJCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CC2CCCCC2)(C(=O)O)N[C@H]3c2ccc(N(C)C)cc2)cc1 248072414 STGQHNKLQCJCCF-YRIIQKNPSA-N 503.643 4.559 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)N=c2[nH]nc(CC(C)C)s2)sc(C)c1-c1ccc(Cl)cc1 1860767281 LNRLVQFSEVHDRG-UHFFFAOYSA-N 507.037 4.603 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013304 VQSGYBZIXBTXAK-DEOSSOPVSA-N 548.640 4.549 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864014716 AVCUVQGXYNBOQW-APPDUMDISA-N 522.911 4.565 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015797 VNOXIVPTGZDBIW-SFHVURJKSA-N 536.938 4.957 10 10 KJCE CCCC[C@@H](NC(=O)Cc1ccc2nc(O)c(C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866913116 HIWJMHDTAUEUNJ-AREMUKBSSA-N 535.600 4.880 10 10 KJCE O=C(C[C@H]1CC(=O)c2ccccc21)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867239903 LFIJJVHDWORZPJ-PIKZIKFNSA-N 542.591 4.888 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867404843 OTNISVINUKAVOM-VMPREFPWSA-N 549.115 4.796 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccccc2C(=O)OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423124 FUMDZQUNMWNPAK-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 2294244513 RXOJRJFSRRDBNW-UHFFFAOYSA-N 600.434 4.719 10 10 KJCE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1 2297580251 LXTRPHQECCINGR-HSZRJFAPSA-N 527.627 4.999 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CC(=O)O)C2=O)c1 2314476769 VKEUVVPSPNJDJB-UHFFFAOYSA-N 584.745 4.636 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)cc3O)SC2=S)cc1 2314831143 DIAVIWGCTNJZKT-UHFFFAOYSA-N 514.625 4.675 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCOCC3)=NC2=O)c1 110557927 STMPDBRLTCRJGG-LHLOQNFPSA-N 579.748 4.653 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 254753860 SKOCSLGNLVPBBW-NDEPHWFRSA-N 541.673 4.523 10 10 KJCE O=S(=O)(O)c1cc(Nc2nc(Cl)nc(Cl)n2)c2c(O)c(N=Nc3ccccc3)c(S(=O)(=O)O)cc2c1 256015768 ZJUUTHDAOGJGDU-UHFFFAOYSA-N 571.380 4.690 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 1084442246 JLJWNCOLACBFQS-UYRXBGFRSA-N 505.483 4.627 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864011553 VEXJPXGBMPANLJ-MHZLTWQESA-N 549.631 4.771 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864015877 FLVHXRAZYYCLMD-QHCPKHFHSA-N 514.557 4.521 10 10 KJCE CC[C@H](NC(=O)Cc1sc(NC(C)=O)nc1-c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866637470 XNYZGRPIQGYJLV-IBGZPJMESA-N 572.668 4.681 10 10 KJCE CC[C@](C)(NC(=O)c1cc(-c2cc(F)ccc2OC)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867105593 KEOYSPJQFBLBQX-HKBQPEDESA-N 554.578 4.547 10 10 KJCE COc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867914909 OXWNQCATWRZXCB-XRKRLSELSA-N 514.670 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3cc(C4CC4)n4nc(C(C)(C)C)cc4n3)c3ccccc3)CC2)cc1 1868996775 YNEKHRDKICEUPV-SSEXGKCCSA-N 566.706 4.733 10 10 KJCE CCOc1ccc(-c2nc(N3CCC(c4nc(C)n(C)n4)CC3)cc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1 1869337788 ZVHKHZPYIOXTBN-UHFFFAOYSA-N 568.726 4.698 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCN(C)C)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873165061 AHDAEXFKPASRLP-UHFFFAOYSA-N 505.062 4.611 10 10 KJCE CCOc1ccc(CC(=O)Oc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874739049 NTGKYWOPNAWVBE-UHFFFAOYSA-N 502.611 4.637 10 10 KJCE COc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)cc1Cl 2297469359 VXQZRPQQMDDNNP-UHFFFAOYSA-N 539.061 4.778 10 10 KJCE COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl 2313560973 NVTRQMJLMWCKDS-UHFFFAOYSA-N 529.730 4.816 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)cc1 2314627697 WKAYXMIAGZIDHF-JOCHJYFZSA-N 530.115 4.815 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 2314764887 OLZDUUZDSRZIFW-UHFFFAOYSA-N 612.955 4.905 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2751976 WISRQIKCUOEEGN-SJJVXOANSA-N 548.064 4.778 10 10 KJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 39835880 BXMOEZDLYUHART-XDJHFCHBSA-N 509.609 4.641 10 10 KJCE CCOC(=O)Cn1cc(C(=O)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)ccc21 150418991 BQRRZCJRMLISOP-UHFFFAOYSA-N 658.580 4.692 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 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NOLPEWYVQMFMEH-IZEXYCQBSA-N 559.707 4.528 10 10 KJCE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873423136 GMBSPVKCPXWOJK-UHFFFAOYSA-N 524.581 4.790 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2296715288 FOERGFMLNQWMKD-RTBURBONSA-N 518.708 4.929 10 10 KJCE COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(Nc2ccc(OC)cc2)cc1 2313682137 WBVDDUWEHMIMDT-UHFFFAOYSA-N 515.526 4.999 10 10 KJCE C[C@H](NC(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21)c1ccccc1 2326945298 NEKLCOILPBCWHW-KRWDZBQOSA-N 507.637 4.585 10 10 KJCE COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC 2231217 BBEDGAJDIJKHKB-KWXIBIRDSA-N 538.600 4.968 10 10 KJCE COc1ccc(N2CCN(c3cc(NCCCN(C)C)c4c5c(onc35)-c3ccccc3C4=O)CC2)cc1 9612340 LBVZBYZVXVKYMJ-UHFFFAOYSA-N 511.626 4.738 10 10 KJCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 33473129 HVTNJCIYHAEKJG-OEAKJJBVSA-N 522.696 4.695 10 10 KJCE CCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 100885984 GUBUTOGKABCKIJ-HEHNFIMWSA-N 560.705 4.500 10 10 KJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCCCCC(=O)O)C1=O 101063053 YQAIZUYXMUPILP-HMMYKYKNSA-N 539.635 4.650 10 10 KJCE COc1ccc(N2CCN(CCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)cc1 101979271 NGGAEFQZQORXGV-IHLOFXLRSA-N 558.748 4.918 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 103784027 AOVKTGHTLSKGTA-UOOXJCEYSA-N 555.675 4.921 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 103814533 IFUMHSJZDLZWKC-STZFKDTASA-N 535.394 4.741 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](c5nccs5)N[C@@](Cc5ccc6ccccc6c5)(C(=O)O)[C@@H]4C3=O)ccc21 150589230 BTCRVAMCNOYIGG-IGJPRVCASA-N 627.678 4.584 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 252671817 OJCGPRWCJQVZLI-AREMUKBSSA-N 532.065 4.859 10 10 KJCE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010575 OABJOHXUUWZCRK-HXUWFJFHSA-N 517.413 4.762 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864012304 XDWPLXCJNLWUML-LMKMVOKYSA-N 531.012 4.876 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014120 NTERDHRXBADYPW-RUZDIDTESA-N 534.572 4.863 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018159 DQCMAJSMUUOXCC-QHCPKHFHSA-N 523.033 4.702 10 10 KJCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865026532 OZLAZHAYQRBASS-HHHXNRCGSA-N 542.611 4.922 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865342783 DMJIUGRCCBFULD-XMMPIXPASA-N 535.714 4.523 10 10 KJCE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867025278 ZMRODNMACCKQEW-ZCYQVOJMSA-N 536.588 4.599 10 10 KJCE Cc1cc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)ccc1Br 2297508761 HJAQCRFBTYBUOI-UHFFFAOYSA-N 570.509 4.703 10 10 KJCE CCN1C(=O)C(=Cc2cn(CC(=O)N3CCCC[C@@H]3C)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509013 KOVRBGHKMVCNQC-NRFANRHFSA-N 655.615 4.733 10 10 KJCE CCOc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(Br)c1OCC(=O)OC 2297577736 WDJHVSDMWWVHTG-UHFFFAOYSA-N 522.442 4.801 10 10 KJCE CN(C)c1ccc([C@@H]2N(NC(=O)c3ccccc3O)C(=O)[C@]2(Cl)CNc2ccc(Br)cc2)cc1 95854636 CXUOOWLKKAGEPB-DHLKQENFSA-N 543.849 4.539 10 10 KJCE CCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 105673159 XWUJJNCEEXWQSY-RWPCSIKVSA-N 522.696 4.624 10 10 KJCE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110531538 VLWMVCBRCRXRMZ-ULJHMMPZSA-N 551.713 4.681 10 10 KJCE CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O 143336990 IVHQPXYKNAPYQJ-HAHDFKILSA-N 540.711 4.721 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864011732 KQSSEOUOUMYDCM-BWKNWUBXSA-N 522.621 4.960 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864012852 KUDOZNKDMATXRI-CYFREDJKSA-N 519.646 4.801 10 10 KJCE CC(C)CNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864021781 GOELLWUYPQZECA-OAQYLSRUSA-N 538.526 4.922 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865028938 BQXYOIHFKLPSAG-JOCHJYFZSA-N 509.006 4.597 10 10 KJCE CCC[C@@H](NC(=O)CCN(Cc1ccccn1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867078717 VDSYYKOGOZAAEG-AREMUKBSSA-N 584.673 4.908 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420435 QLPISGMUDXLLEY-XZWHSSHBSA-N 589.781 4.637 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5F)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1867946145 GUBKPLPCGMZRIU-UHFFFAOYSA-N 538.671 4.868 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COc4c(C)cccc4C)c3)CC2)cc1 1874738746 ZYUTUTCXVJDQRL-UHFFFAOYSA-N 502.611 4.691 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2314408609 PMQCJLJSVLYBRD-UHFFFAOYSA-N 571.703 4.870 10 10 KJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(C)c3ccc(Br)cc32)SC1=S 2314769140 OEGOSCNWBNQGQA-GOSISDBHSA-N 531.453 4.691 10 10 KJCE CCC1=NN(Cc2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2332106589 JREGPXPRZGTFBH-UHFFFAOYSA-N 518.441 4.905 10 10 KJCE CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NCCCCCCN/C=C1/C(=O)N(c2ccc(C)cc2)N=C1C 101350538 OPXOZCFBEPZSDM-MKYUKRCKSA-N 512.658 4.956 10 10 KJCE COc1ccccc1[C@H]1CC(c2cccn2C)=NN1C(=O)CN(CCN1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1 103431699 MTRKXSILCVZSDO-HHHXNRCGSA-N 612.653 4.597 10 10 KJCE COc1cccc(OCCOc2ccc(/C=C3/C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)c1 106505305 OXVZCWANJVTBHQ-AEVKUXSFSA-N 528.590 4.851 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 150451296 DVBDCWZICCRECC-SGWCAAJKSA-N 663.829 4.529 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084185507 IBYJJXPPDZQJTB-ODLFYWEKSA-N 587.301 4.584 10 10 KJCE COc1ccc(OC)c(/C=C2\SC(=S)N(CNc3ccc(I)cc3)C2=O)c1 1084584644 IQVKKOKECRSZHU-YVLHZVERSA-N 512.394 4.579 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccccc3OCC(C)C)c3ccccc3)CC2)cc1 1862056031 QZCKMDFFYLIZTA-MUUNZHRXSA-N 501.627 4.550 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864015776 VAQLCCOKTZWGNT-QRWLVFNGSA-N 530.547 4.588 10 10 KJCE COc1ccc(C2=NN(c3ccccc3Cl)C(=O)/C2=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1 1865665184 FYGVWRXLNDNEAT-LYBHJNIJSA-N 548.039 4.903 10 10 KJCE CSCC[C@@H](NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867099336 GZAJCXRJLBGNEU-HSZRJFAPSA-N 574.609 4.631 10 10 KJCE CC[C@@](C)(NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867413888 GKDAGVOGPGVFSK-SHQCIBLASA-N 529.523 4.757 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4cccc(C)c4nc32)n1 1869098568 PDYSSVCJHPVQDQ-UHFFFAOYSA-N 510.642 4.552 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C(C)=O)c4ccccc4N4CCNCC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279744 NTAGXFJYIUTCOA-UHFFFAOYSA-N 581.696 4.712 10 10 KJCE CC(C)COc1cn(CCN2C(=O)CSC2=O)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870860046 BNGXNDDWSSASGI-UHFFFAOYSA-N 506.628 4.934 10 10 KJCE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CC(C)C)C2=O)cc1 1873423879 KJTYTCOOCRGJIA-UHFFFAOYSA-N 515.610 4.745 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1C 1873425784 LLHHMDPKWIHROI-UHFFFAOYSA-N 512.654 4.625 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(N[C@H](C)c3ccccc3)nc12 2297312841 NBLHKKQCHWZDEW-IEBWSBKVSA-N 506.653 4.556 10 10 KJCE CCOC(=O)c1c(NC(=O)c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)sc2c1CCCC2 2297453064 RSMZJCXXUUGUTB-UHFFFAOYSA-N 558.616 4.635 10 10 KJCE CC[C@H](NC(=O)C=Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331165260 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CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019552 LWXRDFJOQBGJAX-RUZDIDTESA-N 545.039 4.612 10 10 KJCE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864022916 RMFGTBWBGBDUED-RUZDIDTESA-N 540.620 4.734 10 10 KJCE CCC[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868888846 XIFKQFZENRCLDY-IZLXSDGUSA-N 507.675 4.611 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(C)c(C)c4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869970306 IATZDKZNTLGVQR-UHFFFAOYSA-N 517.033 4.547 10 10 KJCE CCCCCCOc1ccc(Nc2nc(=NCC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871610904 XSHMOBQWNUGUPC-UHFFFAOYSA-N 505.667 4.763 10 10 KJCE CCCOC(=O)c1ccc(CNC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872884319 QMFAHVZIUMUVBF-UHFFFAOYSA-N 501.627 4.514 10 10 KJCE O=C(CN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 2314578302 JXVCVMNKMDFPLU-UHFFFAOYSA-N 520.633 4.949 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)cc1 109953399 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10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(OC(=O)COc4ccc(C)cc4C)c3)CC2)cc1 1874731050 SHXMPHZTMXCEQP-UHFFFAOYSA-N 502.611 4.691 10 10 KJCE CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 2296934975 VHASZGVAJRGZDE-UHFFFAOYSA-N 583.135 4.837 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 2313558923 MZRQDVNFVIXLFU-UHFFFAOYSA-N 555.381 4.727 10 10 KJCE COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)C1=C(C)NCCSc1ccc(Cl)cc1 2313682044 UEARSTLZQTUFMM-UHFFFAOYSA-N 501.033 4.871 10 10 KJCE CC[C@@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 2314400441 MGBJSJAASKATPM-LJQANCHMSA-N 548.690 4.902 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4cccs4)n(-c4cccc(Cl)c4)n3)CC2)cc1 2331397481 HNYLTSJCOGMTQS-UHFFFAOYSA-N 521.046 4.969 10 10 KJCE CCOc1cc(C=C2C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139838 YQCVFDZSMBMXEL-UHFFFAOYSA-N 521.511 4.816 10 10 KJCE O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 39885819 SUIOFIPPQVVFOH-YBEGLDIGSA-N 502.643 4.809 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4\Sc5ccccc5NC4=O)cc3)CC2)cc1 96888614 UKDIDWHVQBWCBZ-HFTWOUSFSA-N 528.678 4.723 10 10 KJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/N1CCN(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)CC1 101114142 GHQWPMOLRWIUBI-DFEHQXHXSA-N 612.326 4.742 10 10 KJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/N1CCN(/C=C2/C(=O)N(c3cccc(Cl)c3)N=C2C)CC1 101458990 KWEKPMVZGIXOIS-DFEHQXHXSA-N 523.424 4.524 10 10 KJCE N=C1/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 102475437 YPRJISSYIVWQSU-QPTFLMPZSA-N 525.993 4.690 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccccc4)c3C)c(=O)n2[C@H]1c1ccccc1Cl 1084574313 ARXHOXGPXLNMSD-SANMLTNESA-N 532.065 4.859 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864022385 MSJWEMRDEHGJHE-LJQANCHMSA-N 534.510 4.502 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865029437 NCHXMSISUQAICE-XMMPIXPASA-N 504.631 4.888 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030825 RUCISYKNHTVYIO-MZNJEOGPSA-N 537.060 4.902 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032993 PIBGNYWAGQJJIH-VWLOTQADSA-N 543.023 4.779 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865035230 OQNAUEUAUQZCCI-NPMXOYFQSA-N 541.023 4.651 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869259333 DIVBTFGDOCNVCC-LJAQVGFWSA-N 573.072 4.949 10 10 KJCE CCN(CC)CCCCn1cc(OCC=C(C)C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870613845 PMRUBQBLTUGVTG-UHFFFAOYSA-N 510.723 4.646 10 10 KJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873162293 OIYDKEDXDOTVTM-UHFFFAOYSA-N 515.654 4.830 10 10 KJCE COc1cc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1cccc(C)c1 2297561094 JZFPVOKPFAXOLB-UHFFFAOYSA-N 507.637 4.977 10 10 KJCE COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc1Br 2313561226 ZPVRWORGXDLZTO-UHFFFAOYSA-N 575.076 4.814 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 100860316 DELUBWPDSTUNAT-NHFJDJAPSA-N 615.756 4.921 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CC(C)C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 103862162 IBPPPULFFPBSPK-PXLXIMEGSA-N 554.141 4.840 10 10 KJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110523253 MWRLOFYWGLUQAV-KQWNVCNZSA-N 539.702 4.515 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 110531938 CTBLQPGOLUDQNN-GAJHHXGFSA-N 536.723 4.844 10 10 KJCE CCN1C(=O)/C(=C/c2cn(CC(=O)N3CCCC[C@H]3C)c3ccc(Br)cc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 150624676 KOVRBGHKMVCNQC-BOOTZKDASA-N 655.615 4.733 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(OCCC(=O)O)cc4)SC3=S)cc2)cc1 210852159 JGMRNFUNQDZFBF-JLPGSUDCSA-N 548.642 4.974 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc(Br)c1OC 1084522551 VBJFWCXOHIEBTD-QPEQYQDCSA-N 538.192 4.512 10 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CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864014140 OAQMLHRRLDCEPB-JOCHJYFZSA-N 516.985 4.823 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864016814 XZMZBLDFCSGOQZ-HSZRJFAPSA-N 531.012 4.882 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865034617 AKPYVOJMNQANOQ-WAIKUNEKSA-N 523.033 4.512 10 10 KJCE O=C(N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccncc2)[nH]n1 1867162389 QGWNTPRXCVSYHJ-MUUNZHRXSA-N 587.661 4.918 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccccc2C(=O)c2ccccc2)N2CCCCC2)cc1 1867545318 FMNFEMPSLHXTSL-LJAQVGFWSA-N 540.708 4.835 10 10 KJCE CC(=O)C(=O)c1c(I)cc(I)c(NC(=O)OC(C)(C)C)c1I 1951481247 JQLUPEOJPJCABC-UHFFFAOYSA-N 640.981 4.619 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC(=O)O 2297312253 HWWYSOBASKYNRX-UHFFFAOYSA-N 508.415 4.944 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c2)CC1 2314476544 QIZIOHNLFFSRQN-AREMUKBSSA-N 666.847 4.883 10 10 KJCE COc1cc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCCc1ccccc1 2314767212 DVNWISHKKOPTSE-UHFFFAOYSA-N 522.442 4.755 10 10 KJCE O=C(O)CCOc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 2314933391 VQMKCXQHLXYLRT-UHFFFAOYSA-N 534.615 4.665 10 10 KJCE CCc1ccc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 2326945176 FGCAXBAOGWVOFJ-UHFFFAOYSA-N 507.637 4.908 10 10 KJCE CCC(=CC(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 2332120637 HINQDCWCQBHXLB-UHFFFAOYSA-N 547.405 4.781 10 10 KJCE CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1OC 40940416 PNXMXTWLIOXGSR-PDGQHHTCSA-N 507.431 4.793 10 10 KJCE CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 101378617 JBXYILBJIBELGM-TURZUDJPSA-N 577.703 4.589 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1OC 101430604 QLHYWCGCFHCLKL-BLBDVUBRSA-N 542.386 4.765 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O 102463242 QNRSMANFRQOQEB-HZHRSRAPSA-N 506.605 4.916 10 10 KJCE CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)c3c(O)on[n+]3-c3ccc(OC)cc3)N(c3ccccc3)C2=O)cc1 106042100 ZGVJKZHBNMOXBC-LGUFXXKBSA-O 584.678 4.872 10 10 KJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3F)CC2)SC1=S 110523038 YBJHBMBIZUNPQI-ULJHMMPZSA-N 553.729 4.905 10 10 KJCE CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143294581 CFCUMLKKOMNYAE-QJOMJCCJSA-N 552.722 4.939 10 10 KJCE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143364481 IPNMFTXYFXVYTF-XBPUZACXSA-N 540.686 4.960 10 10 KJCE COc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 150396088 RFTTWMLFWQRZMO-LJAQVGFWSA-N 652.217 4.909 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864022138 UMJMQWOUMFPOHE-DEOSSOPVSA-N 534.657 4.701 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1 1865021747 RHKXVXQYXKXWKV-SANMLTNESA-N 535.648 4.622 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865027873 MUGMZTSOVDRNLS-QFIPXVFZSA-N 529.424 4.852 10 10 KJCE Cc1cccc(N2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1C 1867575564 UOFNFNJFTJVSJG-XJFCNFDWSA-N 595.744 4.632 10 10 KJCE CC(C)(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CN3CCOCC3)CC2)n1 1868340270 AOGQZCFIPRMBAA-UHFFFAOYSA-N 539.680 4.842 10 10 KJCE Cc1cccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)c1 2297468105 BNWQDXXPXIBSLP-UHFFFAOYSA-N 501.955 4.930 10 10 KJCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)cc1OC 2313548845 HBISTEZSPFTHEH-UHFFFAOYSA-N 538.192 4.594 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 2313558638 GDXUPXXQKUAFNS-UHFFFAOYSA-N 540.301 4.742 10 10 KJCE Cc1c(N2C(=O)/C(=C\C(Cl)=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 33304477 PZODJLMDUBFSMQ-BLAZZTHISA-N 513.000 4.921 10 10 KJCE CN(C)c1ccc(/C=C2\C(=O)N(c3cccc(Br)c3)C(=S)N=C2O)cc1Br 33343241 YRPBJUJIYQKHIT-ZSOIEALJSA-N 509.223 4.949 10 10 KJCE O=C(c1ccccc1)N1CCN(c2ccc(N/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3O)cc2)CC1 103123144 KFUYODRTCVNHSJ-MOHJPFBDSA-N 529.984 4.722 10 10 KJCE CCn1c(N2CCOCC2)c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110520842 VEWCNRKSBIUEGR-NKFKGCMQSA-N 574.769 4.682 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 1615296214 RHZMCJAAMPJTRQ-LPKMEEKOSA-N 579.165 4.864 10 10 KJCE CC1(C)COCCC[C@@H]2CN(Cc3ccc(O)c(O)c3)CC[C@H]2CC(=O)N(CC2CCC(F)(F)CC2)C[C@@H]1O 1616157560 HHAKTVQDZURBRI-XFAFFCHDSA-N 552.703 4.778 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2C(=O)OC)cc1 1860763912 RDGDBVAZUDQYCE-QXPQREGVSA-N 569.724 4.637 10 10 KJCE Cc1cc(C)cc(NC(=O)Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1 1860826169 BTPSCKZZXHCRBD-LPYMAVHISA-N 507.637 4.963 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009764 DDFHQWURYMAQGE-HSZRJFAPSA-N 541.048 4.515 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864012498 BBWLRRNQCCKNDT-RUZDIDTESA-N 545.039 4.960 10 10 KJCE C[C@H](NC(=O)CCc1csc(-c2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867046284 UUNQMCXVFFGKSG-KRWDZBQOSA-N 509.587 4.662 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867770864 GUAFSSLHMBBYIX-YTMVLYRLSA-N 578.113 4.999 10 10 KJCE CCCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867771262 VHIJYJRFFNWCDI-AHWVRZQESA-N 544.096 4.946 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCCC[C@H]3CCO)n2)cc1 1867997092 WMXQSRPLHRZNKB-VWLOTQADSA-N 517.674 4.619 10 10 KJCE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)(C)C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868657363 BJISZYHSJKXBQW-SANMLTNESA-N 532.685 4.742 10 10 KJCE CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873164820 UMFKCPKCSQMEPE-UHFFFAOYSA-N 501.627 4.824 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN3CCCC3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873167533 LPAYYQRMIPCMCF-UHFFFAOYSA-N 540.664 4.569 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(N[C@@H]3CCCC[C@H]3C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873170093 NWQCHJWESYOYQI-FQRUVTKNSA-N 532.685 4.963 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(OC(F)(F)F)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426180 VPMXPOFWASRUSA-UHFFFAOYSA-N 568.596 4.907 10 10 KJCE CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)NCCOCCOCCOCCOCCC(=O)OC(C)(C)C)ccc21 2060005587 OAFALWUYRILJSX-UHFFFAOYSA-N 733.859 4.915 10 10 KJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccc(OC)cc2)C1=O 2296545958 CYXXFHXCPOUVEZ-UHFFFAOYSA-N 508.669 4.731 10 10 KJCE 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CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)cc1 15039935 SBCFLMKBEDWAMH-UYRXBGFRSA-N 505.017 4.842 10 10 KJCE CCCCCCNc1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 33481309 NPJQRUNHAWEQMA-KGENOOAVSA-N 522.652 4.817 10 10 KJCE O=C1N(Cc2ccccc2)C(=S)S[C@]12[C@H](c1ccccc1)[C@@H]1CSCN1[C@]21C(=O)Nc2ccccc21 97956493 ZPYXYRMKOZRZHF-CCXYNAMNSA-N 529.712 4.806 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccc(O)cc1)(C(=O)O)N[C@H]2c1cc(Br)ccc1O 252370507 YCORIHITENVVQL-SODQHWRNSA-N 593.474 4.501 10 10 KJCE CC[C@H]([C@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cnnc6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 504725165 MYKTYBRTGBWYEV-SUUNXRQISA-N 700.791 4.573 10 10 KJCE in-vitro COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 1084331620 VKHPQKYATYNFJE-GRSHGNNSSA-N 570.327 4.750 10 10 KJCE CN1c2ccccc2C(=O)N2CCc3c(n(CCC(=O)NC[C@@H]4CCCN5CCCC[C@@H]45)c4ccccc34)[C@@H]21 1615156264 WAMSJHSUMFKZQV-DDOIBPSYSA-N 525.697 4.559 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019946 RYCOKPDKLONPNU-DEOSSOPVSA-N 531.012 4.553 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865033609 DPXHACWEJQLBAU-HXUWFJFHSA-N 548.537 4.844 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@H]3c3sccc3C)CC2)cc1 1865331180 CXIDFCPLAMYRQS-RUZDIDTESA-N 541.677 4.603 10 10 KJCE CCCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867169892 STAFCOGRGDWJBK-HSZRJFAPSA-N 535.604 4.618 10 10 KJCE CC/C(=C\C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 1868666664 SXLSMLLDPGUTDG-CFOJLQOVSA-N 545.655 4.713 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868706805 NUAZYPLRHJMUQP-UIOOFZCWSA-N 515.695 4.551 10 10 KJCE COc1ccc(CN2C(=O)C(NCCCCN3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873167680 SBTCCHRBWONTFR-UHFFFAOYSA-N 556.707 4.857 10 10 KJCE O=C(O)CCCCCN1C(=O)/C(=C/c2c(Sc3ccccc3)nc3ccccn3c2=O)SC1=S 33452823 XUOJBBYXJXYWED-SDXDJHTJSA-N 511.650 4.692 10 10 KJCE COc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccccc2)cc1OC 34683736 HQPGHAXVOKKRJD-UHFFFAOYSA-N 509.672 4.630 10 10 KJCE COc1cc([N+](=O)[O-])ccc1NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1Br 100561983 FOURQRIJJMCBDC-HYARGMPZSA-N 539.386 4.842 10 10 KJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)SC1=S 101013681 XRWVTGIJXOLOLE-MGPOACGJSA-N 568.746 4.558 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 102687480 AWPSCIWHXVHFHB-AMYQQFGMSA-N 528.659 4.802 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)cc(OC)c1O 210745579 UGPMSIBEVVJKRY-XSFVSMFZSA-N 530.624 4.508 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CN4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526601806 FTNJSCCBTBQWQR-SSEXGKCCSA-N 526.681 4.956 10 10 KJCE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030321 HUOFZACPAQKRIL-QHCPKHFHSA-N 541.023 4.795 10 10 KJCE CSCC[C@@H](NC(=O)[C@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866842955 SYFVKRQJHGLSBQ-MZNJEOGPSA-N 518.610 4.656 10 10 KJCE CCCCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870381770 YCPWMMINEQNZAR-UHFFFAOYSA-N 509.622 4.706 10 10 KJCE N=C1C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297468550 DKQAITBGJJAUCC-UHFFFAOYSA-N 536.013 4.581 10 10 KJCE CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CCc2cc(O)c(O)cc2C1 2366909539 JTCFBIPOCSQKKS-WRHNGFHOSA-N 500.595 4.936 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 2509109 IZDXERVATZIIHK-WCWDXBQESA-N 517.607 4.891 10 10 KJCE Cc1c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(N2C[C@@H](C)C[C@@H](C)C2)n(C)c(=O)c1C#N 33812309 WWJVVNGAQNSJAY-XKEKEHRLSA-N 510.660 4.588 10 10 KJCE COCCNC(=O)c1ccc(CSc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(C)(C)C)n2)cc1 98015401 JWXYHEGEEGOYAY-UHFFFAOYSA-N 549.741 4.778 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 100849792 FSKXOZLCLSYTCH-LCMCWVSWSA-N 571.769 4.699 10 10 KJCE CCCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 102610536 OOPMLYGDZQNLLJ-BSYVCWPDSA-N 533.723 4.803 10 10 KJCE CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1O 103582619 KDSAZIRPLGEFTR-FPOVZHCZSA-N 536.632 4.704 10 10 KJCE CCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 143302401 HILKBBLAVLINFS-UQQQWYQISA-N 584.764 4.738 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526624111 ABIOGDXLOJNYAA-MHZLTWQESA-N 502.567 4.543 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)SC2=S)cc1OC 1858587844 DRSQSMWYRAXWPY-NGWPFTMJSA-N 508.599 4.871 10 10 KJCE CCCC[C@@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232856 YTCSRMILHJQBGL-RUZDIDTESA-N 502.055 4.531 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864017615 QBBPGGMMTOAFAK-QCKPZGTRSA-N 526.637 4.626 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1 1865032053 UUSNTZRFKQHDAY-QHCPKHFHSA-N 528.996 4.921 10 10 KJCE CC[C@@](C)(NC(=O)[C@H](c1ccc(OC)cc1)C1CCCC1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868886897 QIQWMNQQPZELEB-BHBYDHKZSA-N 507.675 4.611 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4)cn3CCCOC(C)C)CC2)cc1 1870468868 XLBBMASPTVVTFL-UHFFFAOYSA-N 505.659 4.573 10 10 KJCE COCCCN1C(=O)C(NCc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165426 NZAIWKZLQZYCOK-UHFFFAOYSA-N 529.637 4.566 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)c([N+](=O)[O-])c1 1873418988 KJIDMUMOWBDTDE-UHFFFAOYSA-N 523.549 4.798 10 10 KJCE O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1 2296073509 LSAATGKGSWVMHS-UHFFFAOYSA-N 510.644 4.659 10 10 KJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)cc1 2296394017 DPIGFSACVHOQDH-UHFFFAOYSA-N 523.383 4.685 10 10 KJCE Cc1cccc(COc2ccc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)cc2I)c1 2313558119 TVNLQLTZOKZKPO-UHFFFAOYSA-N 556.331 4.984 10 10 KJCE CCOc1cc(Br)c(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1OCC 2313560995 ORLHNJOWRBBYOT-UHFFFAOYSA-N 538.192 4.675 10 10 KJCE O=C1C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314408581 KBEPMAAIKKTCSM-UHFFFAOYSA-N 575.666 4.701 10 10 KJCE Cc1ccc2nc(N3CCC[C@H](C)C3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413794 IAUSQVMBSGCJSS-INIZCTEOSA-N 508.644 4.780 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 33804018 CPRCSEQVWSESAW-CPEHUTGBSA-N 520.680 4.649 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 54311076 AZJCNWONSAPSFZ-LAUBAEHRSA-N 513.487 4.823 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 100880650 VULODJQOBARJHA-LHLOQNFPSA-N 585.730 4.913 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 101012855 YUOFNMQTZJCFHP-ZZAWEDPDSA-N 546.649 4.689 10 10 KJCE COc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 103858496 SLLDRBVMLAIXKE-SDQBBNPISA-N 514.557 4.540 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC[C@@H]3C)nc12 110391369 QKYMYWBXRAGGGI-RIWZNOJBSA-N 534.663 4.512 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012720 HQMBTPJWUUUSLQ-DEOSSOPVSA-N 504.631 4.605 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864023360 YJLLVDPEDQNTCZ-LJQANCHMSA-N 522.568 4.893 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028338 SFBYCDMQBKGZDB-DMZKTXOQSA-N 529.424 4.994 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031861 PPWBTQASSIGEMV-HXUWFJFHSA-N 528.531 4.708 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)O)sc2c1CC[C@@H](C)C2 1865971894 ZWDTVFQXSFMXQW-UOKFIYJESA-N 579.627 4.524 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@@H](CS(=O)(=O)c3ccccc3)C2)n1 1868481171 LHAVRPMFRPNUFH-OAQYLSRUSA-N 552.656 4.994 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(S(=O)(=O)NC6CCCCC6)cc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869363802 BLZQDQZCLMQILE-UHFFFAOYSA-N 668.868 4.811 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c(OC)c1 1873420517 OMYNEQMMJADWLL-UHFFFAOYSA-N 503.599 4.728 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873553741 CFSWJXDHPZJZPJ-FGZHOGPDSA-N 504.679 4.685 10 10 KJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2296706084 WAFFNGQZMJFKLV-NRFANRHFSA-N 557.786 4.555 10 10 KJCE CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)cc1 2297233428 DMRDVPLWZYLNAN-UHFFFAOYSA-N 555.722 4.814 10 10 KJCE CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)N(c4cccc5ccccc45)N=C3C)cc2)s1 2297561898 UGVTUOHVWXALPO-UHFFFAOYSA-N 518.624 4.773 10 10 KJCE O=C1NC(=S)SC1=Cc1cc(I)c(OCc2ccccc2)c(I)c1 2313466132 YIVSQQVEJBDXFW-UHFFFAOYSA-N 579.222 4.964 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314399979 GLKFVKFUNJGAOT-UHFFFAOYSA-N 534.707 4.692 10 10 KJCE O=C(CN1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S)Nc1ccccc1 101965367 IPARKEMIRPLLLU-AUWJEWJLSA-N 528.247 4.757 10 10 KJCE COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2=O)cc(OC)c1O 101969352 PJPZBPRZUWDLNN-ZHZULCJRSA-N 531.612 4.718 10 10 KJCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 110521686 DJTRJIVMXKKABF-UQQQWYQISA-N 547.750 4.514 10 10 KJCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 143253697 JCIXUSYSWYEPPK-ROTLSHHCSA-N 574.684 4.799 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Cl)cc1 1860758123 BPKZEFKNNBXSPX-UHFFFAOYSA-N 531.030 4.868 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864010166 JFGLDMMTZYCBTP-JOCHJYFZSA-N 509.006 4.643 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864011552 VEXJPXGBMPANLJ-HHHXNRCGSA-N 549.631 4.771 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCOc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015571 CMGHZYHLNWIGGS-VWLOTQADSA-N 540.620 4.507 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864015722 DLEFHYLVJPLBOX-DEOSSOPVSA-N 510.594 4.691 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867172671 UFFURSZBHSVHTK-SSEXGKCCSA-N 524.552 4.632 10 10 KJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C(=O)NC2=S)cc1 2294204833 IEPTXARKMWNQQL-UHFFFAOYSA-N 581.444 4.956 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314476337 MYFYMYUDORIJRA-QHCPKHFHSA-N 542.686 4.858 10 10 KJCE Cc1ccc2nc(N3CCCC[C@@H]3C)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885976 HYZMVJNMLRXFTF-LKZQPVPRSA-N 586.743 4.585 10 10 KJCE Cc1ccc2c(c1)/C(=C\c1nc3ccc(I)cc3c(=O)n1Cc1ccccc1)C(=O)N2C 102437724 JFZVZMWQZFHAMS-XSFVSMFZSA-N 533.369 4.875 10 10 KJCE C[C@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)S2)C[C@@H](C)O1 110556867 PEZQHRIESZJRDC-RLZFMFFCSA-N 591.759 4.793 10 10 KJCE CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 150651196 XGYDDQPOVFLBAY-USHMODERSA-N 669.808 4.718 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 1083898647 XAJKKLAQQSQQGN-NDENLUEZSA-N 540.301 4.742 10 10 KJCE CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3OC(C)C)C2=O)cc1 1084651096 NFILGIAWBQLHKG-YVLHZVERSA-N 646.219 4.748 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013107 QFMWBAAVGUNCGH-XMMPIXPASA-N 530.650 4.676 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017234 IQDPEOWKUGPTMS-BXKMTCNYSA-N 526.593 4.562 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867779307 DVIAMZZCYFUEFG-DITALETJSA-N 628.774 4.651 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1867979028 DHJKMRRDYNDRIM-UHFFFAOYSA-N 507.082 4.663 10 10 KJCE CCN(CC)CCN1C(=O)C(NCCc2c[nH]c3ccccc23)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162119 HCAOSCQUBLRENA-UHFFFAOYSA-N 523.681 4.829 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873168808 KBKFCRKJERFFIR-UHFFFAOYSA-N 530.632 4.868 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccc(F)cc5)ncnc4n3CC(C)C)CC2)cc1 1875209015 GQUPBAWFEXITEN-UHFFFAOYSA-N 530.648 4.852 10 10 KJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 2296554369 WWJHOQRFSSOSBN-UHFFFAOYSA-N 501.608 4.719 10 10 KJCE C[C@@H](Oc1ccc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)cc1)c1ccccc1 2296607572 VBMHWEBPFUSFFS-GOSISDBHSA-N 501.612 4.848 10 10 KJCE CN(C(=O)CCCN1C(=O)C(=Cc2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 2314937076 FHZDNGCHMOMDBH-UHFFFAOYSA-N 506.552 4.631 10 10 KJCE COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 2185244 VKXATEHDWXRLFD-UQDCTOEPSA-N 559.663 4.742 10 10 KJCE COc1cccc(OCCOc2c(Cl)cc(/C=C3/C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)c1 101348076 LOWRJOTVMYXDPR-ONAIEWRJSA-N 533.031 4.755 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)cc1[N+](=O)[O-] 102828752 CFSKPWWQGMYTLZ-KGENOOAVSA-N 538.607 4.912 10 10 KJCE O=C1/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1C1CCCCC1 109966024 XVQQKHWSZZZJEC-NKFKGCMQSA-N 549.697 4.694 10 10 KJCE CCCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110531155 KHHNBQRMKVUBBS-GXHWNICQSA-N 577.776 4.535 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207325247 VFXWHCGAGBUAAC-DOAWATSRSA-N 548.777 4.562 10 10 KJCE Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)c1C 1860510731 NSZOQPMTRINOFO-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864008445 KLKVWQBVWUJYCC-VWLOTQADSA-N 502.615 4.575 10 10 KJCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864011010 YAHNAWVWUFYQPZ-SANMLTNESA-N 524.621 4.859 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864015923 GPBHZXKSGOOYAJ-VWLOTQADSA-N 524.621 4.671 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865030582 MNSUNOHYRSCBRR-DEOSSOPVSA-N 522.621 4.777 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867770862 GUAFSSLHMBBYIX-XRKRLSELSA-N 578.113 4.999 10 10 KJCE CCCC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867857077 AELVGKIPAHJGTI-CLJLJLNGSA-N 590.550 4.989 10 10 KJCE CCCC[C@H](NC(=O)CCc1nc(-c2ccc(OC)cc2)cs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868918049 XXRZZZHIYRDPAN-SANMLTNESA-N 550.725 4.784 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5nnc(-c6ccc(Cl)cc6)o5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869366741 WIMOZTJWXYTEBL-UHFFFAOYSA-N 610.122 4.904 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC)c4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970809 QOURQOJGWOUAPV-UHFFFAOYSA-N 519.005 4.517 10 10 KJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccccc1 2293100653 DSNFOOUPLWMXDG-UHFFFAOYSA-N 523.383 4.767 10 10 KJCE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 2294235486 XNMNJPDVUQJYSG-UHFFFAOYSA-N 501.608 4.719 10 10 KJCE COc1cc(C=C2C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 2297499417 BVISKCYAKZEBLZ-UHFFFAOYSA-N 503.989 4.592 10 10 KJCE O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)C1=Cc1cc(Br)c(N2CCCC2)o1 2313562467 SMWIBXRHPGLCCR-UHFFFAOYSA-N 515.216 4.780 10 10 KJCE Cc1ccc(CNC[C@H]2CN(C(=O)OC(C)(C)C)CCN2Cc2ccccc2)c(O)c1Br 2327797992 AZGJACIWYJLNKO-NRFANRHFSA-N 504.469 4.674 10 10 KJCE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CCC(Cc3ccccc3)CC2)SC1=S 33473481 MEYGOSBVQLWITG-JJIBRWJFSA-N 518.708 4.895 10 10 KJCE COc1ccc(N(C2CCN(Cc3ccc(N(C)C)cc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC 34683746 GUDVOOXHFAXLFO-UHFFFAOYSA-N 527.662 4.769 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)sc(C)c1C 103852306 KLSFSKUHEPKYHQ-PDGQHHTCSA-N 525.627 4.920 10 10 KJCE CCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 137730500 HQBCRVUQFQNZNL-DEZMDOKYSA-N 536.723 4.762 10 10 KJCE COc1ccc(CNc2c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(C)c(C#N)c(=O)n2C)cc1 143284873 QDAAZLLTHVHXCE-FMCGGJTJSA-N 534.638 4.727 10 10 KJCE CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143334071 ADTGQSYXXWNRHR-JWGURIENSA-N 538.695 4.549 10 10 KJCE CCN(CC)c1ccc([C@@H]2C(c3cccc(C)c3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526140179 PVUZYVMYPFCOFY-HHHXNRCGSA-N 533.650 4.723 10 10 KJCE COc1ccc(N2CCN(C(=O)CN3C(=O)c4c(Br)c(Br)c(Br)c(Br)c4C3=O)CC2)cc1 1866341625 UOLGKDAGSLVECZ-UHFFFAOYSA-N 695.000 4.690 10 10 KJCE Cc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867327357 VEMRSNKBCNYWFC-XZWHSSHBSA-N 530.688 4.885 10 10 KJCE COCCCN1C(=O)c2ccc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867520962 MWDXRYGBHJIGQS-SZAHLOSFSA-N 685.891 4.760 10 10 KJCE CCN(CC)c1ccc(Nc2nc(=NCCC(C)C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871700114 GMHGCNUAOATHGT-UHFFFAOYSA-N 518.710 4.677 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccnc3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873164243 RYUDZYLAMCLXRZ-UHFFFAOYSA-N 530.632 4.868 10 10 KJCE CCCCOCCCN1C(=O)C(NCc2ccc(C(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165755 UFKXBIFNJUFPRG-UHFFFAOYSA-N 543.664 4.957 10 10 KJCE Cc1ccc2nc(NCc3ccco3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314413817 INPFRRGYZQOOSG-UHFFFAOYSA-N 506.584 4.749 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H]3c4cc(OC)c(OC)cc4C(=O)N(C)[C@@H]3c3ccc(SC)cc3)CC2)cc1 4766888 YTCFANPDNIXXOY-URLMMPGGSA-N 561.704 4.694 10 10 KJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468181 HQDNFRNUVIOIHD-IRYADYCUSA-N 518.635 4.968 10 10 KJCE O=C(NN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S)c1ccccc1 40939820 FLHLCJGSOSQZDH-MRCUWXFGSA-N 506.008 4.803 10 10 KJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OCc4ccc(C(=O)O)cc4)c(Cl)c3)C2=O)cc1 100345121 INMLIXLXCJAWBW-GRSHGNNSSA-N 541.343 4.946 10 10 KJCE Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1Nc1nccc(-c2ccc(O)c(O)c2)n1 102283123 AVQRQEPYJXXYEY-UHFFFAOYSA-N 524.625 4.607 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 102585753 VQTUIFAJDIKXCV-XDXPSGJKSA-N 508.600 4.827 10 10 KJCE COc1ccc(C(OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)C[C@@H]2N=[N+]=[N-])(c2ccccc2)c2ccc(OC)cc2)cc1 229710653 URPYRSNVDWGRAB-NSVAZKTRSA-N 555.591 4.529 10 10 KJCE 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CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030766 QKSQVEOQNVTIRL-BVFVYWQFSA-N 530.669 4.803 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865034248 SATQMELYHKJLMI-FQEVSTJZSA-N 548.537 4.844 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN3CCc4c(F)cccc4[C@@H]3C2)n1 1868480899 HXZKWBNDYQSWPK-SANMLTNESA-N 519.580 4.863 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(F)c4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970820 QURXZVYWGRZEFW-UHFFFAOYSA-N 506.969 4.647 10 10 KJCE CCCCCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871698164 UPRQUCQZLILJGH-UHFFFAOYSA-N 518.710 4.821 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)ccc1OCCOc1cccc(C)c1 2293668670 ZIBIIIBAVULKDT-UHFFFAOYSA-N 500.551 4.826 10 10 KJCE COc1cc(C=C2C(=O)N(c3ccc(Br)cc3)N=C2C)c(Br)cc1OC(C)=O 2297456206 WYYFYCSUMPYLIM-UHFFFAOYSA-N 508.166 4.952 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521402 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CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864013642 YKZGATJWXCPHCK-VWLOTQADSA-N 516.642 4.829 10 10 KJCE CSCC[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866796297 ZHOAXDVFQWZBCQ-OAQYLSRUSA-N 534.659 4.753 10 10 KJCE CCC[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867931584 RBVPMWQUHWQNLJ-RPWUZVMVSA-N 503.062 4.787 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@H]4c4ccc(OC)c(OC)c4)nc(C(C)(C)C)n3)CC2)cc1 1869194262 GCNCZWBUIFSKOE-RSXGOPAZSA-N 561.727 4.829 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)s4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869969940 AXDMHGFINSCENK-UHFFFAOYSA-N 529.453 4.645 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cc(C)ccc4C)[nH]3)CC2)cc1 1871672320 CRYHLJUFJUPWKW-UHFFFAOYSA-N 513.690 4.713 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c([N+](=O)[O-])c1 1873423771 SEKFTJFCVBBHGK-UHFFFAOYSA-N 524.581 4.790 10 10 KJCE COc1cc(Br)c(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)cc1OC 1874015127 ITPLWFWROXTYQM-UHFFFAOYSA-N 505.324 4.747 10 10 KJCE CCN(CC)CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875234012 ARFQQODMOIECKQ-UHFFFAOYSA-N 559.715 4.578 10 10 KJCE CC(NCCCCCCCCCCCCNC(C)=C1SC(=S)NC1=O)=C1SC(=S)NC1=O 2297454799 RQMOJENWGYSDDH-UHFFFAOYSA-N 514.808 4.825 10 10 KJCE COCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2Cl)C1=O 2314413858 JEVSIBPGKHNRSN-UHFFFAOYSA-N 515.060 4.506 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314770014 XYIRPGIAIYCJHQ-RUZDIDTESA-N 554.690 4.592 10 10 KJCE C[C@H](C(=O)Nc1nccs1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314837500 SZPBPMIWGWBUST-SSDOTTSWSA-N 549.291 4.602 10 10 KJCE CCN(CC)c1ccc([C@H]2N(S(=O)(=O)c3ccc(C)cc3)C[C@@H](C)N2S(=O)(=O)c2ccccc2)cc1 20608669 CMHSMKDYYXWQOE-AMGIVPHBSA-N 527.712 4.624 10 10 KJCE COc1ccc(N2CCN(c3oc(-c4ccccc4F)nc3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 39845780 DOKJBCCENFPHHV-UHFFFAOYSA-N 511.550 4.788 10 10 KJCE COc1ccc(N2CCN(CCNC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)CC2)cc1 101979276 NGGAEFQZQORXGV-KYJUHHDHSA-N 558.748 4.918 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(C)ccc4OC)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862349843 YSYGCCRTLVPTOT-UHFFFAOYSA-N 512.610 4.836 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864017328 JTAOADONZFYSNE-HSZRJFAPSA-N 516.985 4.510 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864017975 ZNWMNHAIALNIHQ-IQGLISFBSA-N 540.620 4.952 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018158 DQCMAJSMUUOXCC-HSZRJFAPSA-N 523.033 4.702 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865027806 LLMBIJLAZMZPJK-DEOSSOPVSA-N 516.985 4.599 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(C)c3C)CC2)n1 1867976090 BRMUBIHRNSIECV-UHFFFAOYSA-N 500.691 4.708 10 10 KJCE CCCC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868591624 OFJKOTSCWYDEBS-HHHXNRCGSA-N 550.725 4.605 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](Cc3ccncc3)c3ccccc3)c3ccccc3)CC2)cc1 1868673057 IMYWRYPUBGHNBD-FIRIVFDPSA-N 534.660 4.623 10 10 KJCE CC[C@](C)(NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868773451 JOTLAHUBBPPQDF-LJAQVGFWSA-N 570.521 4.924 10 10 KJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@@H](c3ccc(Br)cc3)C2)n1 1869132911 OSOFSEPFJLHVNH-XMMPIXPASA-N 538.490 4.715 10 10 KJCE COC(=O)c1ccc(COc2cn(C[C@@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)o1 1871002933 GOTHQQDZVZDDFD-LJQANCHMSA-N 503.555 4.543 10 10 KJCE CCCCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421551 DVXCJBZTSHSWTI-UHFFFAOYSA-N 505.640 4.880 10 10 KJCE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 2059893947 BBNQHOMJRFAQBN-AQAFHLGMSA-N 725.788 4.567 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 2294134098 SJZJAFPPQWCJBW-UHFFFAOYSA-N 539.313 4.532 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(I)cc3)C2=O)c(C)n1-c1ccc(F)cc1 2296940764 MLCSWCKEKJTMRN-UHFFFAOYSA-N 529.309 4.504 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017759 UQBDRCQIGJQJNK-XMMPIXPASA-N 530.625 4.691 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864018921 DNQXDHDPKRHARR-XMMPIXPASA-N 504.631 4.523 10 10 KJCE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033593 DIJQYEIAXPBBOF-VWLOTQADSA-N 538.604 4.585 10 10 KJCE COC(=O)c1c(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)sc(C)c1-c1ccc(Br)cc1 1866111717 DVMABXCCGZZFJS-IBGZPJMESA-N 531.428 4.664 10 10 KJCE CCc1sc(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866112233 SUCIHSYLFPSNLW-LJQANCHMSA-N 545.455 4.918 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866205256 WCWFRSCAQMVPTP-UXHICEINSA-N 557.466 4.877 10 10 KJCE CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811388 NVJIRVVCXRAJJJ-AREMUKBSSA-N 574.699 4.847 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868847170 CKNPBEILKSVWMQ-FIRIVFDPSA-N 575.681 4.576 10 10 KJCE CCCCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870979065 DOJHEPPNYWVUME-AREMUKBSSA-N 504.631 4.678 10 10 KJCE COc1ccc(CCN2C(=O)C(=C3C(=O)N(CC(=O)Nc4ccc(F)cc4)c4ccccc43)SC2=S)cc1OC 2296538551 XLONZTSWZBZRJN-UHFFFAOYSA-N 577.659 4.642 10 10 KJCE CCN1C(=O)C(=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(Br)ccc21 2296711326 MZZMOVAIFOUHRP-UHFFFAOYSA-N 533.469 4.647 10 10 KJCE Cc1ccc(OCCn2cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1C 2297508748 FWLBMIAMVLQOAZ-UHFFFAOYSA-N 571.699 4.875 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)cc1 2313557889 OCCAGUZKSRMHOA-UHFFFAOYSA-N 529.309 4.504 10 10 KJCE CCOC(=O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 2314760016 ICVWKSFLSRDRRW-UHFFFAOYSA-N 501.029 4.802 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)c(Br)cc1OCC(=O)NC1CCCCC1 101572468 JEIRPGQNHVMZKC-MTJSOVHGSA-N 570.440 4.790 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 102835848 WZDSPTJESMJLKD-YDZHTSKRSA-N 542.642 4.745 10 10 KJCE O=C1[C@H]2[C@@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 104906244 MJWQMDAPCMJKCR-HDJDTTBDSA-N 517.459 4.741 10 10 KJCE CC[C@@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 105649815 MGBJSJAASKATPM-JVMBGAFUSA-N 548.690 4.902 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 210745415 KTQKPAVRRIJBRB-RCCKNPSSSA-N 514.625 4.889 10 10 KJCE O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1C1CCCCCC1 253561011 BNZIXLALWBIGGW-FDFHNCONSA-N 522.395 4.662 10 10 KJCE CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 1084391618 BIOHNDYJUFFVJZ-PMERELPUSA-N 629.735 4.701 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864010863 PSXWBMOAHSPCMY-VWLOTQADSA-N 545.039 4.943 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013302 VQPBYDHWPNUXQJ-HSZRJFAPSA-N 534.613 4.507 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013734 ZLMLXOJDCRNYGG-RUZDIDTESA-N 546.574 4.584 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864023188 VISSJIRRWQGZDQ-CRAIPNDOSA-N 510.557 4.893 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865032080 VGQQRNJVAMEMHG-DEOSSOPVSA-N 526.593 4.522 10 10 KJCE COC(=O)c1c(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)sc(C)c1-c1ccc(Br)cc1 1866209292 YCBWBFHSKUPOJB-UHFFFAOYSA-N 522.442 4.857 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)c3nc(C4CC4)n4ccccc34)cccc21 1866859239 FVMJNGGXSGDUDN-SANMLTNESA-N 570.605 4.673 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867686633 WVOBPAHAASCHKL-PQHLKRTFSA-N 544.744 4.945 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C)c4ccc(OC)c(OC)c4)nc(-c4cccnc4)n3)CC2)cc1 1869369517 NQSHIKRQDOIGJY-UHFFFAOYSA-N 512.614 4.659 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314766507 ADYIRLNSLBVAOI-GOSISDBHSA-N 522.442 4.972 10 10 KJCE O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)SC1=S 33567742 WXSHDGCXJHINHP-VWBIBIBXSA-N 505.879 4.748 10 10 KJCE C/C=C\C(=O)N1c2ccc(OCC)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 101420222 SZXFEWKNMKBBQN-CLFYSBASSA-N 519.666 4.863 10 10 KJCE CCCCS(=O)(=O)Nc1ccc(N2CCN(c3ccc(OC)cc3)CC2)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c1 103107331 BTDAEJPJRJTABF-QHCPKHFHSA-N 586.780 4.603 10 10 KJCE CC(C)[C@@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 606671957 HLBHTDPTIGZEFV-DTBYZMGXSA-N 519.486 4.739 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864010126 IFOQZOLNXAMATA-DWXRJYCRSA-N 540.620 4.817 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865027526 JFRQXMXRTZSSJV-HSZRJFAPSA-N 509.006 4.731 10 10 KJCE Cc1c(Cl)cccc1-n1nc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(=O)cc1C 1866286091 XNMSPUNHIOIWKK-VWLOTQADSA-N 508.066 4.526 10 10 KJCE CCCC[C@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867032006 UWIGZGDWHSNWJJ-RSXGOPAZSA-N 550.615 4.989 10 10 KJCE CC[C@@](C)(NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867084162 BYELLAIFTJRIDU-MGBGTMOVSA-N 584.673 4.908 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867736139 KYRMSHKLIJHHID-FQLXRVMXSA-N 554.801 4.982 10 10 KJCE COc1ccc(N2CCN(c3cc(N(C(=O)[C@@H]4CCCN4)C4CCCCC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869306339 PCTJARWAPXPSFH-LJAQVGFWSA-N 570.738 4.905 10 10 KJCE Cc1ccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c2C)cc1Cl 2296053602 FTRWUVCLPSMTRS-UHFFFAOYSA-N 509.035 4.688 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314476562 QQABLHYVENWSJQ-HSZRJFAPSA-N 602.738 4.610 10 10 KJCE O=C1C(=Cc2ccc(Cl)cc2)SC(=S)N1CCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2314603340 LKWPNBOPJHZVMT-KRWDZBQOSA-N 587.547 4.940 10 10 KJCE COc1cccc(C=CC(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1 2321010178 KZFSHMULKFRCDO-UHFFFAOYSA-N 503.514 4.770 10 10 KJCE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329507235 MCWAFVUHBJJCSQ-JGCGQSQUSA-N 569.702 4.663 10 10 KJCE CN(C)c1ccc(/N=N/c2ccc(C(=O)O[C@@H]3O[C@H]([C@@H]4COC(C)(C)O4)[C@@H]4OC(C)(C)O[C@@H]34)cc2)cc1 32603315 ZYXAACXIHFJWBL-DSWPZZLFSA-N 511.575 4.721 10 10 KJCE CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCc3ccccc3Cl)[C@@H](/C=C/CO2)C1 100035292 HKVHWOAKLRGDSK-ICWDZDQVSA-N 602.179 4.623 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(I)c1OCc1ccccc1 101677647 LAOVDEPQKZHZRC-NDENLUEZSA-N 568.367 4.854 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N3CCN(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 105444960 FSKXOZLCLSYTCH-KTXUMSRNSA-N 571.769 4.699 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 105666708 QEOLBAXBUJGRET-NKFKGCMQSA-N 534.707 4.836 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)O)[C@@H]2C1=O 252241508 KHMAHXPZWSTZJX-XZSZPMDUSA-N 622.472 4.704 10 10 KJCE CC1=S=C(N2CCCCC2)SC1=S=C(N=O)C(N=O)=S=C1SC(N2CCCCC2)=S=C1C 585660574 RATKAODNQMJKOO-UHFFFAOYSA-N 546.856 4.996 10 10 KJCE CCc1ccccc1NC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 1860826533 GDFABBWTFUYQKX-HYARGMPZSA-N 507.637 4.908 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864007747 UBPISJKPNKZOIS-OAQYLSRUSA-N 515.397 4.652 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012747 IJUGLDBEQGHTJP-VWLOTQADSA-N 534.632 4.968 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014717 AVCUVQGXYNBOQW-DIFFPNOSSA-N 522.911 4.565 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864020111 WGRGHEYYIMEWKK-DEOSSOPVSA-N 547.011 4.519 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865034614 AKPYVOJMNQANOQ-HJPURHCSSA-N 523.033 4.512 10 10 KJCE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866663517 TXMYZRIYGNYCGW-OAHLLOKOSA-N 527.964 4.765 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1 1867512128 NHDXFUIDMRBNRP-ROJLCIKYSA-N 623.798 4.832 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868478536 CNMMOFBZALUXAE-DEOSSOPVSA-N 509.610 4.722 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)cc1 1868648777 BAJZXYJZAKHYOU-LJAQVGFWSA-N 573.093 4.931 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(Nc3ccc(N(C)C)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873417202 XFGGLIHLCKCPAT-UHFFFAOYSA-N 555.679 4.973 10 10 KJCE CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2295982168 UMMMNXCOSNZDSF-QGZVFWFLSA-N 538.695 4.674 10 10 KJCE Cc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C(=O)NC2=S)cc1 2297301515 WVRMOWYCCGNBQY-UHFFFAOYSA-N 551.418 4.866 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 2314399797 DOPIWLIWSZOKKD-IRXDYDNUSA-N 541.098 4.671 10 10 KJCE CCOCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S 2509069 JZUULQLQWYLKBK-FMQUCBEESA-N 517.470 4.994 10 10 KJCE COc1ccc(/C=C2/SC(=O)N(CCN3C(=O)S/C(=C/c4ccc(N(C)C)cc4)C3=O)C2=O)c(OC)c1 24691944 QPCPLKJVMVVLSC-JFMUQQRKSA-N 539.635 4.543 10 10 KJCE Cn1cccc1C1=NN(C(=O)CN(CCN2CCOCC2)C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](c2ccc(Cl)cc2)C1 101023948 WXAMFSJNNSDRIL-HHHXNRCGSA-N 602.057 4.850 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)Cc2coc3ccc(Br)cc23)[C@H]2CCS(=O)(=O)C2)cc1 101179728 JYOLSCFAGMDSNQ-QFIPXVFZSA-N 533.488 4.800 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 102779016 SGXOPLITQPSEHR-ORVZPOCUSA-N 620.525 4.697 10 10 KJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110527605 ZTAYHKOUHKGYNK-OYKKKHCWSA-N 550.706 4.949 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)cc1 150596978 FENKIGKTPHBOED-BYYHNAKLSA-N 631.732 4.680 10 10 KJCE CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 206723234 INOGLVYRAYSMEL-NKFKGCMQSA-N 548.727 4.801 10 10 KJCE O=C1[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](CC3CCCCC3)(C(=O)O)[C@@H]2C(=O)N1C1CCCCC1 247417186 QNRBONAQSYSWCC-OYSWMMLKSA-N 533.463 4.527 10 10 KJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526470780 PSRPIPDTYHCQJG-QFIPXVFZSA-N 511.914 4.612 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 725431813 JRFRFEYVODZEFE-NDEPHWFRSA-N 683.568 4.828 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864018499 MEBJAQAJAJSUGF-XMMPIXPASA-N 549.002 4.709 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@@H]2c1ccc(O)c(O)c1 1865031833 PFMKEKVKGVEJAI-OXUZJWOWSA-N 514.626 4.620 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866619675 LKXLJONUGMXBGZ-XIFFEERXSA-N 565.626 4.641 10 10 KJCE COc1ccc([C@H](C(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)C(C)C)cc1 1868856478 JAKFQBWWKIRTJR-WDYNHAJCSA-N 515.654 4.650 10 10 KJCE CC[C@@H](NC(=O)C[C@@H](c1ccc(F)cc1)c1ccc(OC)c(OC)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869021590 XAMJIQCEEOTKEJ-WUFINQPMSA-N 563.670 4.617 10 10 KJCE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873165611 ROTSVCVNSFAKMM-UHFFFAOYSA-N 534.616 4.736 10 10 KJCE COCCCN1C(=O)C(Nc2ccc(CC(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420716 UBXKGWROVGPWBN-UHFFFAOYSA-N 529.637 4.817 10 10 KJCE CC(C)(C)OC(=O)N1CCc2c(N3CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC3)ccc(N)c2C1 2044714751 NXHSCHHOBYVULO-UHFFFAOYSA-N 547.697 4.771 10 10 KJCE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)c1 2314476404 NXYZYEPOFMVCLH-QHCPKHFHSA-N 582.773 4.950 10 10 KJCE COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(C(C)(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 33385568 AMBJKTATRAJQRP-DSNGMDLFSA-N 509.558 4.688 10 10 KJCE COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1OC 103565769 AUQLAVXCFIHMCO-IPEOLEARSA-N 508.600 4.827 10 10 KJCE COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1Cl 103858994 YXNKFWWXMOLWOH-JAIQZWGSSA-N 556.800 4.963 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 137766291 RELLNGVQQMGGTG-QOHCFZNTSA-N 580.732 4.572 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)cc4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252673045 QULDTHRQFLYSQV-SANMLTNESA-N 548.064 4.778 10 10 KJCE Cc1cc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([S@](=N)(=O)O)cc4)o3)C2=O)ccc1Br 1083914401 UQSDMMWXHFSQFT-GZTJUZNOSA-N 530.356 4.563 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC[C@H]3C)nc12 1772721452 SVUNHUIHWVMQIV-URPBSQGJSA-N 586.743 4.585 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864012854 KUDOZNKDMATXRI-NTKDMRAZSA-N 519.646 4.801 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864019733 PVMGQEKIOVETHG-UQJUWTFNSA-N 502.615 4.544 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865034925 HTIZSRABRXVXOK-IQMFZBJNSA-N 541.023 4.793 10 10 KJCE 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2185889223 KQECWHIVUDSLFX-RIXQQTFQSA-N 546.455 4.985 10 10 KJCE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2296846681 SIJKYZPKAMOCCD-UHFFFAOYSA-N 500.690 4.764 10 10 KJCE CCCCn1c(=C2SC(=S)N(CC)C2=O)sc(=CC=C2Sc3ccc(Cl)cc3N2CC)c1=O 2297452772 LKPVYDRRJLXDBM-UHFFFAOYSA-N 538.185 4.606 10 10 KJCE CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 2314508243 OCILSOJTTXHNIL-LJQANCHMSA-N 507.637 4.738 10 10 KJCE COc1cccc([C@@H]2[C@@H](C(C)=O)N3c4c(cccc4OC(C)=O)C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1 2108502 LZWPPLXYTQMXFG-ZONZVBGPSA-N 507.542 4.643 10 10 KJCE biogenic CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 101013135 XFWZNQKASAHMDQ-MOHJPFBDSA-N 568.746 4.562 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4ccccc4F)Sc4ccccc43)CC2)cc1 105346351 MZIPXZTYFXIOMK-XHLNEMQHSA-N 560.695 4.643 10 10 KJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)o1 1084477139 KUCMVJLAZDBSDN-BOPFTXTBSA-N 526.299 4.601 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1c[nH]c3ccccc13)=C(N)O2 1864017109 FQSLKICLWSYDJI-MHZLTWQESA-N 549.631 4.689 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865029193 IACRLIFIGXBFGF-SANMLTNESA-N 522.605 4.516 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1865030926 VJQVHMBIQLLNTH-DEOSSOPVSA-N 519.646 4.754 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865031787 OBZMGGCWKKZGLR-HXUWFJFHSA-N 530.547 4.954 10 10 KJCE C[C@@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866796956 QZNBZKGUSPHVSP-MRXNPFEDSA-N 547.405 4.721 10 10 KJCE Cc1nnc([C@H](CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cccc(Br)c2)o1 1867036263 YQLNVABVFBHHID-OYHNWAKOSA-N 587.430 4.581 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867427413 LOMVFOIKYHBMHW-JHOUSYSJSA-N 623.798 4.833 10 10 KJCE 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500.690 4.621 10 10 KJCE COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(O)=NC2=S)cc1 96860860 JBAOMPVICUYTQI-BKUYFWCQSA-N 519.535 4.863 10 10 KJCE O=C(O)c1cccc(N2N=C(C(F)(F)F)/C(=C\c3cc(Br)c(O)c(Br)c3)C2=O)c1 100442861 BDGKRRGVOMGZHW-NYYWCZLTSA-N 534.082 4.964 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 102688354 LUPCPCLMEGTGJN-IOCYEQIYSA-N 572.712 4.601 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 103783646 RZTVTTFGFYJKRK-KEBLUXQBSA-N 571.674 4.627 10 10 KJCE CCCCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143341778 NAEJZXMBVFRUDQ-JLPGSUDCSA-N 598.747 4.566 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 725394525 VXSPNUNYZFIMSG-MHZLTWQESA-N 606.542 4.789 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026465 OCLWFBRNHWNKQU-PSLXWICFSA-N 526.996 4.539 10 10 KJCE 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CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867728711 WJYFNMXREJDRRZ-FIRIVFDPSA-N 613.734 4.934 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867993367 PRBYEEJWYXBXCB-UHFFFAOYSA-N 536.680 4.814 10 10 KJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873165792 VLDZYZVPVFOUQX-HHHXNRCGSA-N 541.648 4.710 10 10 KJCE CCN(CC)CCCN1C(=O)C(NCCc2ccc(OC)c(OC)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166293 KJFOASLWBSXWQN-UHFFFAOYSA-N 558.723 4.755 10 10 KJCE COC(=O)COc1c(Br)cc(C=C2SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1Br 2293986893 CFMXPXPBFLLTIX-UHFFFAOYSA-N 598.269 4.747 10 10 KJCE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)SC1=S 40938240 YAAPZQUJHMLEIO-WJDWOHSUSA-N 502.452 4.789 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)c(Br)c1O 100230595 GACDOMGYGKYROZ-ZSOIEALJSA-N 524.165 4.820 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 150432525 CTMLWSARQRYOAV-NHFJDJAPSA-N 667.792 4.672 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030470 KKBCRBNZDFYYQY-RUZDIDTESA-N 516.642 4.619 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1865034249 SATQMELYHKJLMI-HXUWFJFHSA-N 548.537 4.844 10 10 KJCE CCC[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866793778 LGGBCTWAGGMFIU-NRFANRHFSA-N 502.592 4.800 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)C[C@H]3CC(=O)c4ccccc43)CC2)cc1 1869037960 MGOBECDJNLFPQP-GIGWZHCTSA-N 557.716 4.522 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3nc4ccccc4[nH]3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873169576 PRHBKTMHNMQWSU-UHFFFAOYSA-N 550.707 4.759 10 10 KJCE CCN(CC)CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)cc1 2297296823 VLYYZHUVJGVZBG-UHFFFAOYSA-N 525.696 4.805 10 10 KJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314767248 FLRFYUMKCSYFDV-KRWDZBQOSA-N 508.415 4.582 10 10 KJCE COc1ccc(N2CCN(c3nc4ccccn4c(=O)c3/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)CC2)cc1 102621826 UOLUXEDVTJEUAV-XIEYBQDHSA-N 587.702 4.570 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864008249 GPWMIWCUSMQACM-QHCPKHFHSA-N 537.403 4.910 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864013146 QXZCQYKSWJASNN-DEOSSOPVSA-N 504.631 4.523 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864013293 VHMGFIOYWSJDHC-MHZLTWQESA-N 538.648 4.657 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013631 DWOGHVSTXAHMLO-DEOSSOPVSA-N 510.594 4.870 10 10 KJCE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864019174 VXBBWENADHRVFB-ZSEKCTLFSA-N 531.440 4.821 10 10 KJCE 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CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875213843 VAXAAOSDVPDQJB-UHFFFAOYSA-N 530.648 4.996 10 10 KJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 2293692876 XVSNEZTZKDYLQM-UHFFFAOYSA-N 541.394 4.801 10 10 KJCE COc1ccc(OCCn2cc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)c3ccccc32)cc1 2296065471 DKZCPDRGOMCJFO-UHFFFAOYSA-N 522.590 4.791 10 10 KJCE Cc1cccc(C)c1NC(=O)CN1C(=O)C(=C2SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 2296714207 IVSQEHJZDHZRDY-UHFFFAOYSA-N 503.605 4.653 10 10 KJCE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2296716999 WDCUIGFUJMYXQS-UHFFFAOYSA-N 542.642 4.745 10 10 KJCE Cc1ccc2nc(NCCCOC(C)C)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2296846644 KQROYQIEVWXDEZ-UHFFFAOYSA-N 508.669 4.631 10 10 KJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314478217 KAACPEGRFGXQDV-UHFFFAOYSA-N 588.759 4.833 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1O[C@@H](C)C(=O)O 2314931492 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COc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C)cc1 100324188 JSCBYTKGQVMUNL-GZTJUZNOSA-N 527.405 4.555 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccccc1OC 100619057 FGEAHRQBHAZGIF-ZRYJBNJPSA-N 597.737 4.799 10 10 KJCE COc1ccc(N2CCN(c3cc(C(C)(C)C)nc(SCc4cccc(C(=O)N5CCOCC5)c4)n3)CC2)cc1 101423818 DXOKMGILKCANIO-UHFFFAOYSA-N 561.752 4.874 10 10 KJCE COc1cc(/C=C2\C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1 102792161 PGMMEYJHVZUFBX-KXYLLZDBSA-N 517.588 4.767 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 106004034 YMIAVTSPJFYQJR-MEGCXXLRSA-N 521.645 4.674 10 10 KJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526560845 FCOWXOJCRBPDKG-AREMUKBSSA-N 519.550 4.747 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864015068 IZBWKQQSIYEMPR-NRFANRHFSA-N 544.574 4.979 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 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CCOC(=O)c1c(C2(C)CC2)nn([C@@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2080043136 PZIIINLLTMMVKX-SFHVURJKSA-N 510.372 4.820 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)SC2=S)cc1 2294746217 KHSOHKYOSZMACM-UHFFFAOYSA-N 513.618 4.877 10 10 KJCE Cc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c(C)n1-c1ccc(Br)cc1 2297469998 UACVXNPWLXDXBH-UHFFFAOYSA-N 505.401 4.919 10 10 KJCE C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 33672885 ODEUHOYCJSUCNC-UQKXMBGOSA-N 508.644 4.717 10 10 KJCE CCOc1c(Cl)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 1083974988 RZKXEPHDXFQGGE-QPEQYQDCSA-N 528.584 4.930 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864009993 HPMAVUPXJQCKJK-PWAGRJGVSA-N 502.615 4.626 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cc(C)ccc2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864011340 HBFXLGZXUPFYHV-HHHXNRCGSA-N 524.621 4.587 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865030390 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Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(I)cc(I)c3OC(C)C)C2=O)c1C 164066858 PHCCRPBKWWHMGT-SXGWCWSVSA-N 630.220 4.966 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 254906582 AHYRATQCEWOGTP-MHZLTWQESA-N 606.542 4.977 10 10 KJCE Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1C 1083933299 FZDPVGUAMIYHSK-NDENLUEZSA-N 523.343 4.740 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864014035 LSEPTPGVHFIELV-QFIPXVFZSA-N 511.022 4.567 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867685748 RNMUNJAQAUTUKO-XRKRLSELSA-N 530.717 4.555 10 10 KJCE CCCCNC(=O)COc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870953797 KRDANLGDQWXFEI-UHFFFAOYSA-N 519.690 4.841 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Cl)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425804 MPCQVWDJXGGDKK-UHFFFAOYSA-N 519.045 4.662 10 10 KJCE COc1ccc([N+](=O)[O-])cc1NC(=O)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 1873963803 TVQPBJPPAJAUNL-UHFFFAOYSA-N 509.522 4.520 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2297455649 KIBFUFAIRDNYSA-KDURUIRLSA-N 504.681 4.887 10 10 KJCE Cc1ccc2nc(N3CCCC[C@@H]3C)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314414360 XDKATMWNNYRQEI-KRWDZBQOSA-N 508.644 4.922 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCC[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314414472 ZXPKWXYATBTOTC-QGZVFWFLSA-N 520.680 4.649 10 10 KJCE CC[C@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)c1)C(=O)O 2314930820 JSBAHNYKZJXBSB-INIZCTEOSA-N 511.408 4.782 10 10 KJCE COc1ccc(N2CCN(c3nc(SCc4ccc(C(=O)NC[C@H]5CCCO5)cc4)nc(C)c3C)CC2)cc1 98015340 XAWYGYHRVJPECG-HHHXNRCGSA-N 547.725 4.630 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 256043633 RHZMCJAAMPJTRQ-MNNZMVSYSA-N 579.165 4.864 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526395911 SXBBLVUVGNAHNW-AREMUKBSSA-N 504.539 4.911 10 10 KJCE CCCCCCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1862133280 AQIIIUVZSYGNPR-SANMLTNESA-N 511.688 4.518 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864011266 SJSLYWIQVSATLZ-XMMPIXPASA-N 531.012 4.900 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1864014514 WZODHLVGGIMVGZ-DEOSSOPVSA-N 526.593 4.570 10 10 KJCE NC1=C(C(=O)NC2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3Cl)c2O1 1864014905 FVTJIBRPBKVCCZ-LJQANCHMSA-N 548.949 4.768 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864016323 MKCOSRPNIJBRRC-QFIPXVFZSA-N 516.985 4.823 10 10 KJCE COc1ccccc1CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@@H]1c1ccc(O)c(O)c1 1864016351 MYOZJQFAZCCZRU-VWLOTQADSA-N 540.620 4.637 10 10 KJCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865026313 LZDGZLMRZLHPDE-DLHNHZGJSA-N 546.643 4.912 10 10 KJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCC(c5ncncn5)CC4)nc(-c4cccnc4)n3)cccc21 1868564058 KUWSXCCKYITARE-UHFFFAOYSA-N 540.587 4.627 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4F)n(-c4ccccc4Cl)n3)CC2)cc1 1869969279 KYKVNBQQTQJDIG-UHFFFAOYSA-N 520.996 4.576 10 10 KJCE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC)C2=O)c1 1873420446 OZCCVGFBNQATQT-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(OCC(C)C)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426078 SYFGLFZGQYPSJJ-UHFFFAOYSA-N 542.680 4.653 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCC(C)C)ncnc4n3Cc3ccccc3)CC2)cc1 1875217064 GJSHDOLOUFGORB-UHFFFAOYSA-N 512.658 4.909 10 10 KJCE CCCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2Cc1ccco1 1875234047 BXPCPDWOSZXGRR-UHFFFAOYSA-N 502.619 4.646 10 10 KJCE N=C1C(=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296065490 LFCYSOPXERHLCP-UHFFFAOYSA-N 502.383 4.885 10 10 KJCE COC(=O)c1cc(NC(C)=C2C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 2313683615 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CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1OC 1083909627 ZRSVWICCOXRCOZ-LJAQVGFWSA-N 571.699 4.531 10 10 KJCE NC1=C(C(=O)N2CCc3ccccc3C2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1865032209 XYSROUTXNFJCOB-QFIPXVFZSA-N 548.521 4.582 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865032956 OQXMYYZTNXQHBD-AREMUKBSSA-N 524.621 4.567 10 10 KJCE COCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)C)n2)C[C@@H]1C 1868228019 JJYWMITUTAVKTA-PMACEKPBSA-N 513.642 4.664 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3cc4cccc(C)c4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 2314650578 PKHFFVLSQKAVED-UHFFFAOYSA-N 516.692 4.955 10 10 KJCE O=C(O)CCN1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842114 ABGXXBPSRQSMPV-UHFFFAOYSA-N 511.408 4.687 10 10 KJCE COc1cc(C=C2C(=O)N(Cc3cc(C)ccc3C)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105277 OULHAXFTAIUUPH-UHFFFAOYSA-N 525.649 4.853 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)ccc1OCc1ccc(C(=O)O)cc1 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CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864015773 VAQLCCOKTZWGNT-FOIQADDNSA-N 530.547 4.588 10 10 KJCE O=C(C[C@H]1CC(=O)c2ccccc21)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867235483 OQYZEKQENVMRPS-NGOKVRLYSA-N 558.590 4.594 10 10 KJCE CCCC[C@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867240749 IAZDAIYCJFQUQT-CJAUYULYSA-N 508.574 4.836 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5C)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868004653 KCJZZHPRJNHSGK-UHFFFAOYSA-N 535.696 4.504 10 10 KJCE COc1cccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCOC[C@H]3C)n2)c1 1868504936 AVXFRTDUZDTFAX-GOSISDBHSA-N 506.562 4.896 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829298 WVOGFIMZIGGJJA-JXHRLWIKSA-N 588.773 4.609 10 10 KJCE CCC[C@H](NC(=O)C=C(CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331521172 ILMXRNIHTRNIHX-VWLOTQADSA-N 558.517 4.893 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)c3cc(Nc4ccc(OC)cc4OC)nc4ccccc34)CC2)cc1 8583558 ANOMQLQZTBGFNM-UHFFFAOYSA-N 555.679 4.946 10 10 KJCE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)CCC(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1 101191176 DCHFYPORDOJREI-JTSJOTPCSA-N 589.689 4.563 10 10 KJCE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 110522794 MEJYSFJOSUUMQI-ITYLOYPMSA-N 555.729 4.776 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 1772721354 LTTSODUHNNHYKQ-WRCYZNONSA-N 504.681 4.887 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864009607 CAPICIWORJTTCA-XMMPIXPASA-N 531.012 4.900 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCc4ccccc42)[C@H]3c2ccc(O)c(O)c2)cc1 1865028125 PXGHTXYEIQHBNW-MHZLTWQESA-N 522.605 4.633 10 10 KJCE CCOC(=O)c1c(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccc(Cl)cc1 1866113709 OFLDQGKGWWNCFC-UHFFFAOYSA-N 507.033 4.779 10 10 KJCE CCOc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537013 MXQMWTHCDPFECE-FIRIVFDPSA-N 558.723 4.541 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867795974 AWGHUNYGTWTPIW-KYJUHHDHSA-N 572.710 4.541 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(F)cc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867966656 JEKJOMFARUBRML-UHFFFAOYSA-N 504.654 4.575 10 10 KJCE CCCCCOc1cn(CCCCN2CCCC2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679007 VBQGZVNTSQGRPR-UHFFFAOYSA-N 510.723 4.624 10 10 KJCE CCCCNC(=O)COc1cn(Cc2ccncc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870951006 DGTIVRWCXROVGY-UHFFFAOYSA-N 511.626 4.942 10 10 KJCE COCCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871000840 MYWMSJIEIYZHNF-UHFFFAOYSA-N 503.555 4.809 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 2293561023 KGXPCNPXWHZCQK-UHFFFAOYSA-N 576.656 4.860 10 10 KJCE Cc1ccc2nc(NC3CCCC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 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CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110523454 WIARJVXLRXITDH-USHMODERSA-N 617.772 4.967 10 10 KJCE CCCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 110556480 CYSOVKVCCLWDIQ-NCELDCMTSA-N 582.773 4.952 10 10 KJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 213203635 YQAIZUYXMUPILP-HKWRFOASSA-N 539.635 4.650 10 10 KJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 213204136 NROBMNWCVCYDBF-QRVIBDJDSA-N 559.625 4.934 10 10 KJCE O=C1N(Cc2ccccc2)C(=S)S[C@]12[C@H](c1ccccc1)[C@H]1CSCN1[C@@]21C(=O)Nc2ccccc21 245330627 ZPYXYRMKOZRZHF-SFUJYVBYSA-N 529.712 4.806 10 10 KJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526515932 LLLBPRWSHGPMAI-AREMUKBSSA-N 519.550 4.985 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017151 GZHBXGPJKILFJG-YUNKPMOVSA-N 517.413 4.762 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@@H]2c1ccc(O)c(O)c1 1864022591 PNLDJOCVXOZBOJ-LJQANCHMSA-N 546.546 4.521 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029064 FJJQKYIUWXZAPJ-HOYKHHGWSA-N 502.615 4.640 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865029507 OZTSVJJELIEXMU-SANMLTNESA-N 540.620 4.598 10 10 KJCE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867729228 JPWVNQVFKFETQI-CONSDPRKSA-N 645.801 4.887 10 10 KJCE Cc1cccc(NC(=O)COc2cn(CCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1C 1871188505 NQSYUZFECQXWBK-UHFFFAOYSA-N 512.610 4.831 10 10 KJCE COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc(I)cc1 2294507846 NGKIYAUBMSMCNC-UHFFFAOYSA-N 575.833 4.818 10 10 KJCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296544477 LSEAUTGHOUFVJP-SFHVURJKSA-N 554.141 4.983 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 2314476887 XOTWISXSRYQEPN-BKSPAHHJSA-N 624.810 4.717 10 10 KJCE COCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC[C@@H](C)C3)c2)SC1=S 2314479258 JTFVQSMXIJWCFW-HXUWFJFHSA-N 582.773 4.808 10 10 KJCE COc1c(Br)cc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 100288049 KRENNCUIIWWHHP-AWNIVKPZSA-N 548.109 4.905 10 10 KJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 102560117 MHAPLHXXCHOBRX-UQQQWYQISA-N 545.577 4.875 10 10 KJCE CCCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 110524904 FJYCFNIKQRFLIL-ULJHMMPZSA-N 564.733 4.573 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccc(O)c(OCC)c3)SC2=S)cc1 210719353 PXARKFZTEPZGSR-RCCKNPSSSA-N 514.625 4.588 10 10 KJCE CCc1ccccc1NC(=O)CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1 643588894 LKGVHOKHGLDEQE-UHFFFAOYSA-N 529.681 4.526 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012455 ADAJAIOBLUZTQS-MHZLTWQESA-N 538.648 4.739 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864016565 SLXKZLZZVYKGFL-VWLOTQADSA-N 524.621 4.785 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864021990 SRQBZVDRKYZOQY-QYBDOPJKSA-N 530.669 4.964 10 10 KJCE CC(C)[C@H](C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Br)cc1 1868151931 YZQNGPZNKQUSGS-QHCPKHFHSA-N 519.395 4.719 10 10 KJCE CC(C)c1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868227959 HYHFMPOCDMNQLA-MHZLTWQESA-N 535.579 4.936 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)/C(C)=C/c3ccccc3Cl)CC2)cc1 1868747702 WPBBZEFBEZJGSM-LPIQFSCHSA-N 576.093 4.754 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccccc5)C4)nc(-c4ccccc4)n3)CC2)cc1 1869207965 GKRWYVYSKQNYLJ-LJAQVGFWSA-N 520.681 4.972 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccn3)C2=O)cc1[N+](=O)[O-] 1873418844 CRRIVGCEIQXZPI-UHFFFAOYSA-N 523.549 4.798 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1ccccc1C 2293191938 OQGZURWWDOOZGY-UHFFFAOYSA-N 506.942 4.781 10 10 KJCE CC[C@@H](C)N1C(=O)C(=Cc2c(NC3CC(C)(C)NC(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S 2297497500 BJIJDJKUTPXOAM-MRXNPFEDSA-N 513.733 4.724 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 2314504502 WWWMHRQBZPCXIM-UHFFFAOYSA-N 529.599 4.925 10 10 KJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468186 HQDNFRNUVIOIHD-MOMDTQCHSA-N 518.635 4.968 10 10 KJCE Cc1c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(N2C[C@H](C)O[C@H](C)C2)n(C)c(=O)c1C#N 110520649 KTERXUKCBLSREP-BFFQPTQLSA-N 588.796 4.976 10 10 KJCE Cc1c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N 143287435 OLIVJYDQIUAHKK-OYKKKHCWSA-N 600.701 4.520 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C/c1ccccc1N1CCOCC1 1083903353 QLNYFJUMBZTGTG-WGOQTCKBSA-N 511.622 4.657 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 1084331502 CFCIUYVYUVOUEX-SSEXGKCCSA-N 567.711 4.790 10 10 KJCE Cc1c(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cccc1[N+](=O)[O-] 1860570024 HRVTXZCCXHLMLF-UHFFFAOYSA-N 506.474 4.578 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 1860758866 SBOMZVZJZVXCSL-UHFFFAOYSA-N 545.455 4.969 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)c1 1864010952 CMKIBLVAWYCBMC-AREMUKBSSA-N 516.642 4.801 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864011623 WTRBPZWUTXULKN-IQGLISFBSA-N 510.594 4.808 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC[C@@H]2C)=C(N)O3)cc1 1865032679 HZIPIOFWOXMXIP-UUOWRZLLSA-N 532.641 4.722 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865033912 KHORGULKZWKXLB-NRFANRHFSA-N 542.558 4.623 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1 1867647014 CJFNQRWGGZBXAS-QFIPXVFZSA-N 544.540 4.863 10 10 KJCE O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(Cc2ccccc2F)c2ccc(Br)cc12 2313623848 GDSLWMHVQMGHRG-UHFFFAOYSA-N 522.330 4.846 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C/c4ccc(O)c(OC)c4)S3)[C@@H](c3ccccc3O)C2)cc1 54201389 DZSGGDVUFCPOFH-LPGPRXSPSA-N 501.564 4.937 10 10 KJCE CN1C(=O)/C(=C/c2cn(CCOc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378733 OKNFQBAHVDSWMY-XIEYBQDHSA-N 578.090 4.912 10 10 KJCE CN1C(=O)/C(=C/c2cn(CCCOc3ccccc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378780 GVBKJVACKGKGRM-VFCFBJKWSA-N 557.672 4.648 10 10 KJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 102520467 UILKXGYRNRRJNF-HAHDFKILSA-N 533.631 4.567 10 10 KJCE 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COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(-c4ccccc4)n3)CC2)cc1 1869211467 OMBIIVVJVFCXQE-YTTGMZPUSA-N 573.701 4.648 10 10 KJCE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873165618 RZJDQYJYALCESX-UHFFFAOYSA-N 551.643 4.930 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)CCc4cccc(OC)c4)cc3)CC2)cc1 1874746259 YKTXUZCHICFIOH-UHFFFAOYSA-N 502.611 4.637 10 10 KJCE O=C1C(=Cc2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314507910 MNWSKRZAVAZMCS-UHFFFAOYSA-N 533.562 4.756 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829297 WVOGFIMZIGGJJA-GREBRCKQSA-N 588.773 4.609 10 10 KJCE CCOc1ccc(CCN2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)SC2=S)cc1OCC 2323770161 ILGCWSMKNWKBAE-UHFFFAOYSA-N 503.642 4.954 10 10 KJCE CCCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)N=C2S1 97636101 YTWRVQRWULYEIX-GBEVANGZSA-N 523.571 4.871 10 10 KJCE CCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(OC)cc3OC)c3ccccc32)SC1=S 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COCCCN1C(=O)C(Nc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873420753 UTKZGGPDEMPXOK-UHFFFAOYSA-N 515.610 4.888 10 10 KJCE COc1ccccc1OCCOc1c(Br)cc(C=C2SC(=S)N(C)C2=O)cc1OC 2293631471 VDFYYMQCGGKKCV-UHFFFAOYSA-N 510.431 4.755 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NC4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314413548 AFHROTQUPPMYFJ-UHFFFAOYSA-N 506.653 4.767 10 10 KJCE Cc1ccc(CN(C)C(=O)[C@@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2327789071 JCUGDDCWUBKATE-LJQANCHMSA-N 507.425 4.532 10 10 KJCE CCC(/C=C1\Sc2ccc(OC)cc2N1C[C@H](O)CS(=O)(=O)O)=C\c1sc2ccccc2[n+]1CC 101705579 DICLHPYFAJCAKT-SFHVURJKSA-O 533.717 4.713 10 10 KJCE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 150651239 JTJYQTRHILJKNG-CEUNXORHSA-N 647.798 4.975 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207308322 BIVBYBKIVYUHHM-DMUURETOSA-N 601.816 4.776 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864012745 IIALXKQKBXGXQV-UUOWRZLLSA-N 504.631 4.521 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864019159 HCILHCAUQAEINN-VWLOTQADSA-N 516.642 4.829 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027431 YDVTYZLEQPDHHT-SANMLTNESA-N 543.023 4.584 10 10 KJCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865030782 QZJHBLZJJDVRRC-CLOONOSVSA-N 522.605 4.904 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865032552 FUDAQOFSWHVZNU-DEOSSOPVSA-N 531.012 4.853 10 10 KJCE CC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866591418 YBGQXIAMLVMZAT-QHCPKHFHSA-N 539.613 4.574 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867795976 AWGHUNYGTWTPIW-XZWHSSHBSA-N 572.710 4.541 10 10 KJCE CCCC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868591625 OFJKOTSCWYDEBS-MHZLTWQESA-N 550.725 4.605 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3nc(-c4cccc(F)c4)oc3C)CC2)cc1 1868640067 BYQVFGAMWASGMC-GDLZYMKVSA-N 574.628 4.556 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868832679 BEORGLSCSVUWHL-KDYSTLNUSA-N 550.497 4.638 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(CCCCN(C)C)C2=O)cc1 1873162349 QYGPKYOFARMRDY-UHFFFAOYSA-N 523.681 4.829 10 10 KJCE Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCCC(=O)O)C2=O)ccc1Cl 101062752 GTWLDESMRIRNDC-LDADJPATSA-N 530.027 4.823 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@H]2[C@H](C1=O)[C@](C(=O)O)(c1ccccc1)N[C@H]2c1cc(Br)ccc1O 252265734 OGEMJTKCRMYBCL-MVPDCNEZSA-N 563.448 4.710 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1862366595 OZJMZEGOALIKDF-UHFFFAOYSA-N 516.985 4.892 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013713 ZERGUYFDIBMRFR-SANMLTNESA-N 524.621 4.615 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864017705 SCYAWRRZHBJZGV-VWLOTQADSA-N 545.039 4.861 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864019712 PQKLXWBAUHVEBA-AFMDSPMNSA-N 524.621 4.785 10 10 KJCE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021355 BAQDXPDCYUQPDM-QHCPKHFHSA-N 547.011 4.832 10 10 KJCE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030169 DUBYOXFEKKKLFT-QFIPXVFZSA-N 543.451 4.919 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865033913 KHORGULKZWKXLB-OAQYLSRUSA-N 542.558 4.623 10 10 KJCE COc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867334053 SZUMKKPDWQLHPY-FQLXRVMXSA-N 606.739 4.602 10 10 KJCE Cc1ccccc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867904602 WQURWJVYRZFVQS-IHLOFXLRSA-N 512.698 4.746 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868635926 DSTLOIVVUMGFRR-SSEXGKCCSA-N 552.675 4.586 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccccc5)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869313366 DJOVXAZLOVSFFL-PMERELPUSA-N 550.707 4.981 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccc3)C2=O)cc1 1873165656 SWRPRSUHLHNPGQ-UHFFFAOYSA-N 519.601 4.951 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1NC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 2293279607 NQANERDPGLODQQ-UHFFFAOYSA-N 514.563 4.847 10 10 KJCE CC(C)CC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(CCC(=O)O)C2=O)cc1)C(Cl)(Cl)Cl 2297498163 XBLCGPZWXRVJOS-SFHVURJKSA-N 539.890 4.600 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccccc3Cl)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2297578758 GFRMMIUVOFBSME-UHFFFAOYSA-N 520.925 4.682 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cccc(Oc4ccccc4)c3)SC2=S)cc1 2314831407 KLHPQGYSMKQOBB-UHFFFAOYSA-N 553.687 4.746 10 10 KJCE CC(C)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S 1249292 SBOMYPWDYNHPEE-VHEBQXMUSA-N 505.543 4.671 10 10 KJCE CN(C)c1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 3741958 PPLUIZMTRQSWOV-UHFFFAOYSA-N 517.593 4.965 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864008909 UXZXYAMGFSCHTG-XMMPIXPASA-N 521.017 4.947 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(F)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864011327 GTOUPEFNBZOGPN-CRYYWNKWSA-N 542.611 4.925 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864019755 QEKIEANNGGHMIE-MHZLTWQESA-N 538.648 4.841 10 10 KJCE CCOC(=O)c1c(NC(=O)CNC(=O)c2ccc(N)cc2)sc(C)c1-c1ccc(Br)cc1 1866102047 WPJHHORGKQMJHW-UHFFFAOYSA-N 516.417 4.613 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Cl)cc1 1866202872 CAISGNPYTZZZCC-PMACEKPBSA-N 513.015 4.768 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867670514 PWFWOYYQXWKKBC-CONSDPRKSA-N 553.707 4.624 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867921693 PDVITHTYHCKVSA-SZAHLOSFSA-N 665.766 4.965 10 10 KJCE CSCC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867933467 OFGPECWPWNJBBS-BJKOFHAPSA-N 535.129 4.740 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868706803 NUAZYPLRHJMUQP-FTJBHMTQSA-N 515.695 4.551 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc4c(cc3[C@H]2c2ccccc2)OCO4)n1 1869107382 FNSJGCGGIFSSEQ-UUWRZZSWSA-N 579.701 4.882 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(C(=O)OC(C)C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873165588 QGCYNIJZZQMEDR-MHZLTWQESA-N 541.648 4.708 10 10 KJCE N=C1C(=Cc2cccn2CCOc2cc(Cl)ccc2Cl)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 2297499573 NBZVXCHOQQMHKA-UHFFFAOYSA-N 559.479 4.896 10 10 KJCE COc1cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314768590 LEUXBESJPBXSTA-JOCHJYFZSA-N 605.532 4.876 10 10 KJCE CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 100023112 ZXMXABURTXPDGY-HMMYKYKNSA-N 533.369 4.957 10 10 KJCE COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OCCOc1ccccc1 105792904 WGPAFQHJKANWQB-UAJGQANVSA-N 528.590 4.851 10 10 KJCE COc1cc(/N=N/N(C)c2ccc(S(=O)(=O)O)cc2C(=O)O)c(Cl)cc1NC(=O)c1ccccc1 1614312945 PFMURLLDVXKLRB-OCEACIFDSA-N 518.935 4.681 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)c(C)c4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1862347712 CNEWLELPYIUIRK-UHFFFAOYSA-N 500.574 4.966 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013032 OPHDBHDZXRNEHI-AREMUKBSSA-N 542.611 4.754 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013106 QFMWBAAVGUNCGH-DEOSSOPVSA-N 530.650 4.676 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865033475 AMQNBFKHMADBHT-VWLOTQADSA-N 540.620 4.581 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986690 NISVCLJYMOBSPN-UHFFFAOYSA-N 569.641 4.853 10 10 KJCE COc1ccc(N2CCN(C(=O)CNC(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)cc1 1868580580 KCNUZZZKMJSLIW-UHFFFAOYSA-N 532.691 4.555 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)c3ccc(Br)cc3)CC2)cc1 1868832677 BEORGLSCSVUWHL-IDISGSTGSA-N 550.497 4.638 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(-c4ccccc4)n3)CC2)cc1 1869212563 SEGSKEHWXRQLTJ-GDLZYMKVSA-N 564.665 4.564 10 10 KJCE COC(=O)C1CCC(CN2C(=O)C(NCc3ccccc3OC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873165384 MJMVMNWFHGDYEH-UHFFFAOYSA-N 555.675 4.952 10 10 KJCE COc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873426263 YEWFHDRGZTZUMI-UHFFFAOYSA-N 549.071 4.670 10 10 KJCE CCCCCCN1C(=O)C(=C2C(=O)N(CC(=O)Nc3ccc(OC)cc3)c3ccccc32)SC1=S 2296538416 NZRCCPDLZPXHAQ-UHFFFAOYSA-N 509.653 4.832 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(Oc3ccccc3)nc12 2296849500 CDMBXHHACOHBAM-UHFFFAOYSA-N 581.679 4.999 10 10 KJCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)cc3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314934791 KAJAMUZCJNXEER-IBGZPJMESA-N 501.626 4.780 10 10 KJCE COc1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1OC 2123165 GYVBHSOTBVPNDX-TWJOJJKGSA-N 509.558 4.735 10 10 KJCE biogenic CCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 40066816 WBGRZFUBNFSKRL-PWKYRQDESA-N 524.668 4.779 10 10 KJCE COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(I)cc4)c(OC)c3)C(=O)NC2=S)cc1 101743735 RXOJRJFSRRDBNW-BKUYFWCQSA-N 600.434 4.719 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCCCN(CC)CC)sc(C)c1-c1ccc(Br)cc1 1860758823 QKKAKESIKGAWBS-UHFFFAOYSA-N 538.508 4.839 10 10 KJCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(CC)cc1)[C@H]2c1ccc(O)c(O)c1 1864022992 TWBGNTHOLQLUDF-VLIAUNLRSA-N 530.547 4.858 10 10 KJCE CCCCN1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421618 HZKBNKAZRDRIIH-UHFFFAOYSA-N 511.670 4.838 10 10 KJCE Cc1ccccc1N1CCN(C2=NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccccc3)S2)CC1 2296053614 LCFSIXAUPGWUCP-UHFFFAOYSA-N 519.648 4.555 10 10 KJCE CCN1C(=O)C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296705134 VEYXOKWBRZFTAF-UHFFFAOYSA-N 504.681 4.683 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(NCc3ccc4c(c3)OCO4)nc12 102841368 WDGUHOKDMVABJK-BUVRLJJBSA-N 556.669 4.788 10 10 KJCE CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110529550 ZJKFCUDGIJKISQ-OIZLQNDXSA-N 591.803 4.531 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 252666214 AUORERAUKABMIM-NDEPHWFRSA-N 683.568 4.828 10 10 KJCE CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 888085300 HJYYPODYNSCCOU-ZCQFAMSFSA-N 697.778 4.754 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864007767 UQIPFNCFCCEVNF-HXUWFJFHSA-N 503.386 4.510 10 10 KJCE CCCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864012716 HLFYJIQXPOPNSE-NRFANRHFSA-N 531.440 4.821 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCC2)=C(N)O3)cc1 1864017601 PTLBQPTUJCRWGG-XMMPIXPASA-N 532.641 4.769 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)c(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864018149 DHAIGOAPJUNIJR-OAQYLSRUSA-N 531.440 4.823 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864018181 DZVKFKNTUVIIIP-VWLOTQADSA-N 545.039 4.878 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc4ccccc34)c2O1 1865034392 VVRASFGOXBNGAL-NRFANRHFSA-N 536.510 4.773 10 10 KJCE CCOC(=O)c1c(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866026753 ZPRIBBOCZFWZNO-UHFFFAOYSA-N 572.393 4.806 10 10 KJCE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867382295 NCWOBMWUQPKSAS-RPBOFIJWSA-N 561.590 4.710 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)CNC(=O)c2c(Cl)ccc(Cl)c2Cl)N2CCCCC2)cc1 1867733740 UBZDHWBTWUHDAE-FQEVSTJZSA-N 511.881 4.786 10 10 KJCE Cc1c(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867816806 UGRPYQFWBNQOHO-FQLXRVMXSA-N 588.665 4.692 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867986608 KEQJXOFUMCMIAO-UHFFFAOYSA-N 554.670 4.953 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)Cc3nc(-c4ccc(C(C)C)cc4)oc3C)CC2)cc1 1868995106 WNYDIKJAJDPAPT-HHHXNRCGSA-N 564.752 4.911 10 10 KJCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCCN2CCCC2)C1=O 1873424330 AIHAYXNAESLBKA-UHFFFAOYSA-N 540.664 4.949 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)cc1 2296539140 FENKIGKTPHBOED-UHFFFAOYSA-N 631.732 4.680 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1ccccc1Cl 2297467684 LCBWNFZGJBVINS-UHFFFAOYSA-N 517.954 4.630 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)c(C)c1 2314828502 DCOLHPBSKIUTBJ-UHFFFAOYSA-N 500.627 4.735 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4ccc(I)cc4)CC3)ccc21 1860598419 GJSPRFQREPEOON-UHFFFAOYSA-N 564.379 4.558 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(F)cc4F)n(Cc4ccccc4F)n3)CC2)cc1 1862338880 IYWBRFMQGHPZCM-UHFFFAOYSA-N 506.528 4.987 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864011862 ZGCQUKRPAPWBDI-VWLOTQADSA-N 528.584 4.695 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1864012377 YRKZVTKTSAFFGG-SANMLTNESA-N 545.039 4.666 10 10 KJCE CCCc1nn(CC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864014603 ZCQOANPNKJCSNK-SSOJOUAXSA-N 516.642 4.718 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864016115 HUHFZTQNYIRMSZ-MZNJEOGPSA-N 510.594 4.633 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)CC2)cc1 1868710882 XFUDSWJNJXUVIL-KAYWLYCHSA-N 541.758 4.729 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296724127 YUOFNMQTZJCFHP-JOCHJYFZSA-N 546.649 4.689 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC[C@H]3C)nc12 2314414132 QKYMYWBXRAGGGI-QGZVFWFLSA-N 534.663 4.512 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864011265 FGUHEPSXHPQHJU-MUUNZHRXSA-N 538.648 4.630 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018941 FAGDSKYZILTTEC-VWLOTQADSA-N 545.039 4.943 10 10 KJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1c(Cl)cccc1Cl 1865174748 SJOHTYKEALGVKK-HSZRJFAPSA-N 542.467 4.570 10 10 KJCE CSCC[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866940107 TWFHKFXTONRNBC-GPXNEJASSA-N 516.594 4.581 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(OC(=O)OCC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867302308 XDDKNSMVUBHDFD-SXOMAYOGSA-N 538.689 4.530 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867622120 ZBDKFJVBKJGYEP-ACHIHNKUSA-N 609.771 4.791 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)CC4CCCCC4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869969583 FOQDOLROSDTVNX-UHFFFAOYSA-N 504.635 4.520 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1[N+](=O)[O-] 1873420369 MNYZIAYWURXSFG-UHFFFAOYSA-N 518.570 4.628 10 10 KJCE CC[C@@H](C)OC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420845 XBJQIHPXRSFHCT-OAQYLSRUSA-N 515.610 4.888 10 10 KJCE CC(C)(C)OC(=O)NCC1(NCc2cc(Br)ccc2O)CCN(Cc2ccccc2)CC1 2067212310 UAGSNGLTLYQTJG-UHFFFAOYSA-N 504.469 4.804 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(NCCCN3CCOCC3)nc12 2296706804 VPLSFIROKMEEJA-UHFFFAOYSA-N 629.849 4.934 10 10 KJCE COc1c(I)cc(C=C2C=C(c3ccccc3)OC2=O)cc1I 2297550813 RLQXLFCDLSCQIZ-UHFFFAOYSA-N 530.099 4.886 10 10 KJCE CCOc1ccc(Br)cc1C=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2313547968 HMUJPPLUQFZJDI-UHFFFAOYSA-N 522.193 4.894 10 10 KJCE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 101013533 NXYZYEPOFMVCLH-BQHBAAMWSA-N 582.773 4.950 10 10 KJCE Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1[N+](=O)[O-] 103858282 NWKATMSVPDGCFV-JAIQZWGSSA-N 523.343 4.740 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 1084506348 NEEQMSOVHYXHBG-YVLHZVERSA-N 633.395 4.757 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864009757 DADIYTOIYRYDLF-XMMPIXPASA-N 502.615 4.770 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864019155 HCGZGAUGFKVUKF-OAQYLSRUSA-N 523.014 4.572 10 10 KJCE CCCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867031999 UWIGZGDWHSNWJJ-AOYPEHQESA-N 550.615 4.989 10 10 KJCE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867383928 ZLRKHUUGYBSVHB-CONSDPRKSA-N 576.713 4.593 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867506428 INHCWLBULBNEGL-VMPREFPWSA-N 589.781 4.779 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873166384 ODVWVUSHGMVMLB-GDLZYMKVSA-N 538.692 4.607 10 10 KJCE CCN(CC)CCN1C(=O)C(NCC2CCC(C(=O)OC(C)C)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873170861 URMJMSJGLGVZAD-UHFFFAOYSA-N 562.755 4.863 10 10 KJCE Cc1ccc(OC(C)C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873425532 DDMZVUCUIYQICF-UHFFFAOYSA-N 542.680 4.714 10 10 KJCE Cc1cccc(N2CCN(C3=NC(=O)C(=Cc4ccc(OS(=O)(=O)c5ccccc5)cc4)S3)CC2)c1 2295959096 DPLVDEWFRIFGNN-UHFFFAOYSA-N 519.648 4.555 10 10 KJCE CC(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 2296405682 BXLUWNRROLJFHD-UHFFFAOYSA-N 573.582 4.847 10 10 KJCE CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)cc1 2296732356 YUPJEBDAWYMCDT-UHFFFAOYSA-N 517.680 4.819 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)Nc3ccc(Br)cc32)SC1=S 2314767713 HNDHVNSXLDYFJU-KRWDZBQOSA-N 517.426 4.667 10 10 KJCE CCCN(CCC)c1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 101011828 KAACPEGRFGXQDV-PTGBLXJZSA-N 588.759 4.833 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(N4CCCCC4)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101909600 BIVBYBKIVYUHHM-SNCWWCFESA-N 601.816 4.776 10 10 KJCE CCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110527115 BRQBRJNOXKDGIY-KQWNVCNZSA-N 539.702 4.515 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(C)CC2)SC1=S 110529061 UKUDVECVCGKYFU-ZALQFNEYSA-N 543.803 4.998 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c(NC(=O)c4cc5ccccc5oc4=O)c3)CC2)cc1 150442068 AANPMXFFDKJOQQ-NAKRPHOHSA-N 671.754 4.802 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)ccc1OC1CCCCC1 211939978 BPZJHQPVSPEQMU-CPNJWEJPSA-N 518.686 4.797 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(Cl)c2)[C@@H]3c2ccc(O)c(O)c2)c1 1864011540 JIBYWNCICYCTTC-AREMUKBSSA-N 545.039 4.932 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864017466 MWNZHOJJRVAIGS-RUZDIDTESA-N 545.039 4.861 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864019591 MXAAWFGIAPQZGX-VWLOTQADSA-N 545.039 4.861 10 10 KJCE CCc1sc(NC(=O)[C@H](C)N2C(=O)c3cccnc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866240625 SZHRHRWIUSJDCX-LBPRGKRZSA-N 542.411 4.545 10 10 KJCE CCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054795 BBYNJIDIDHNUAT-QHCPKHFHSA-N 538.629 4.837 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C(=O)C3CCCCC3)CC2)n1 1868481694 ZJPHYMVLNRKBIY-UHFFFAOYSA-N 509.610 4.533 10 10 KJCE CC(C)CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870977317 AKXGCTNOXXTSND-HHHXNRCGSA-N 518.658 4.924 10 10 KJCE CCCCC[C@@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873167194 VWWBXQUGXODTTM-RUZDIDTESA-N 562.736 4.970 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C(=O)O)c4)C3=O)c2C)sc2c1CCCC2 2294229349 MCBILDNDXFFOAZ-UHFFFAOYSA-N 577.684 4.741 10 10 KJCE CCOc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 2313549372 UTNJKNROBATYMP-UHFFFAOYSA-N 552.219 4.902 10 10 KJCE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40067028 KRXFIZLWUFUEOR-HMAPJEAMSA-N 528.675 4.817 10 10 KJCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c2)C1 150451020 JKZJUAULNRHRBT-VGPASCDASA-N 656.877 4.594 10 10 KJCE CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1I 164449052 FQTIBGYWEUANGU-QPEQYQDCSA-N 620.035 4.881 10 10 KJCE N=[N+]=C1C=Cc2c(cccc2S(=O)(=O)Oc2ccc(C(=O)c3ccccc3)c(OS(=O)(=O)c3cccc4c3C=CC(=[N+]=N)C4=O)c2OS(=O)(=O)c2cccc3c2C=CC(=[N+]=N)C3=O)C1=O 585670043 PKHDKLSVLNJUOQ-UHFFFAOYSA-N 929.903 4.890 10 10 KJCE Cc1cccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)n2)c1C 1860558108 NQQKOZHXWHZFJN-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)sc(C)c1-c1ccccc1 1860760178 VAHKUHDKRCRNGY-UHFFFAOYSA-N 505.640 4.620 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864018859 SLDRGXXNLPSNHK-XMMPIXPASA-N 549.002 4.709 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3F)c2O1 1865032001 STLMMBKCOKQTON-VWLOTQADSA-N 540.595 4.856 10 10 KJCE COc1ccc(C2=NN(Cc3ccc(Cl)cc3)C(=O)/C2=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1865679364 JSBWIJSCXLZNLC-CIAFOILYSA-N 505.914 4.858 10 10 KJCE CC[C@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867554889 KGLKEIBNDJOEKD-XZWHSSHBSA-N 540.708 4.835 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867792417 VBYORMMVYSQYGI-VBTAUBHQSA-N 674.868 4.873 10 10 KJCE Cc1c(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867818032 PPUIDVKOBMYXQW-DGPALRBDSA-N 620.682 4.701 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C/C=C/c5ccccc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867969410 YZSHPAWXWPNLRE-DHZHZOJOSA-N 526.729 4.945 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCCOc4ccc(C)cc4)cc3)CC2)cc1 1872720031 KXEJGLDLWRRELU-UHFFFAOYSA-N 510.656 4.753 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CC3)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873166891 JYIMADKYBYARJM-UHFFFAOYSA-N 503.643 4.684 10 10 KJCE Cc1cc(C)cc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873168868 NGQCKHJSADIAAR-UHFFFAOYSA-N 515.654 4.884 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)c([N+](=O)[O-])c1 1873418574 OUIUFQPTPIAYSS-UHFFFAOYSA-N 523.549 4.798 10 10 KJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2296167002 MHAPLHXXCHOBRX-UHFFFAOYSA-N 545.577 4.875 10 10 KJCE COc1ccc(N2CCOCC2)c(NC(=O)C=Cc2cc(Br)cc(Br)c2OC)c1 2313685497 SRQBWBQFPLBIRT-UHFFFAOYSA-N 526.225 4.717 10 10 KJCE O=C1C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCOCCO 2323768061 GXMGCGXCOYXDPV-UHFFFAOYSA-N 503.045 4.584 10 10 KJCE Cc1cccc(NC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)c1C 2326945175 FFRJOQXFKIAMRB-UHFFFAOYSA-N 507.637 4.963 10 10 KJCE COc1ccc(Nc2cc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)c3ccccc3n2)cc1 8583984 FNNCUHZRTJTZRN-UHFFFAOYSA-N 525.653 4.938 10 10 KJCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nnc(SCc2ccc(F)cc2)s1 101196092 VWUMTTSWGNTJCY-SXGWCWSVSA-N 520.633 4.949 10 10 KJCE O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)Nc1ccccc1C(F)(F)F 643588920 MJWMNDDGROEGMO-UHFFFAOYSA-N 569.624 4.983 10 10 KJCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864013939 JOXMTEGWRSYRBO-MSHVNAQASA-N 520.674 4.682 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865026463 OCLWFBRNHWNKQU-LFVRLGFBSA-N 526.996 4.539 10 10 KJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865186188 KXBUEDPPOHWNLO-AREMUKBSSA-N 529.685 4.606 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)sc(C)c1-c1ccc(C)c(C)c1 1866268886 PGBDIMLWOLQRCI-UHFFFAOYSA-N 507.543 4.770 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869171293 IRGIGYVCFDEONS-UHFFFAOYSA-N 524.673 4.529 10 10 KJCE CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870801320 PAFYXMFTYCURKN-UHFFFAOYSA-N 508.578 4.899 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873166855 ZBJILOJWZQPCAK-RMBIHJOLSA-N 547.696 4.701 10 10 KJCE COc1cc(C=C2SC(=S)N(N)C2=O)cc(I)c1OCc1ccc(Cl)cc1 2297576494 CODPBMUZXIZGCZ-UHFFFAOYSA-N 532.812 4.607 10 10 KJCE O=C1c2ccccc2-c2onc3c(N4CCCCC4)cc(NCCN4CCN(c5ccccn5)CC4)c1c23 20322111 VKTKBSJYBVKIFE-UHFFFAOYSA-N 508.626 4.659 10 10 KJCE CCOc1ccc(-c2cc(/C=C3\SC(=S)N(CCOC)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] 33707310 ALIHCGRGDSJLSR-JCMHNJIXSA-N 510.597 4.694 10 10 KJCE Cc1cc(/C=C2\C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 1084035664 NZRGWXHSKROBOC-KGENOOAVSA-N 525.346 4.707 10 10 KJCE C[C@@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864016793 XMVRRXNABKUVAF-QGBXIZNGSA-N 540.664 4.914 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864020409 YITSURGWVZYWOK-QHCPKHFHSA-N 516.985 4.510 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865026555 PMXSKRBEMJOVKG-QHCPKHFHSA-N 529.012 4.787 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865032852 MTBSQAXRGLVIQG-AREMUKBSSA-N 522.605 4.579 10 10 KJCE CC[C@](C)(NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866845840 LEMIDAQQGIACLU-HKBQPEDESA-N 520.589 4.802 10 10 KJCE O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867164222 GPVNCNRLKDHWPA-VWLOTQADSA-N 560.541 4.631 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447556 FWTXGHWMYFELDC-ROJLCIKYSA-N 667.807 4.910 10 10 KJCE CCOc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867537910 NTFXGOKDHOJXDD-LOYHVIPDSA-N 528.697 4.966 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@H]2c2cn(C)c3ccccc23)n1 1868275391 REUYACXUJNFFMH-SSEXGKCCSA-N 556.626 4.727 10 10 KJCE Cc1cc(C)cc(OCCN2C(=O)C(NC3CCN(C)CC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)c1 1873170479 BGILZVWQZHJTHL-UHFFFAOYSA-N 526.681 4.554 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1C 4642042 GLYQCYURFKIXBV-HVOLAPKFSA-N 527.606 4.914 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 20235934 KKHSWZIINKLKKA-YJFMCDHMSA-N 512.360 4.756 10 10 KJCE CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(OC)cc1 101402619 QZACSTMIQJKDOA-JCMHNJIXSA-N 553.409 4.776 10 10 KJCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 102686789 JRAYEOXLLFNURN-PTGBLXJZSA-N 552.722 4.782 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Cl)c1OCc1cccc(C)c1 1084052534 IPJUCGHIVNHWOM-OCKHKDLRSA-N 520.925 4.631 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864007746 UBPISJKPNKZOIS-NRFANRHFSA-N 515.397 4.652 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864011687 JYPKJVLSTSWVCL-NLFFAJNJSA-N 522.621 4.960 10 10 KJCE COc1ccc([C@@H](C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1866985902 WTZLROYNSYSJJJ-VWLOTQADSA-N 528.605 4.752 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(CS(=O)(=O)c5ccccc5)CC4)nc(C(C)C)n3)CC2)cc1 1869089670 NPSOLAGEZQKCQL-UHFFFAOYSA-N 549.741 4.626 10 10 KJCE CCOC(=O)CCOc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870879471 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CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526448356 XLBGPMWRRLJFJX-SANMLTNESA-N 507.539 4.970 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865031134 ZNSYROQVEXPFNH-RUZDIDTESA-N 534.632 4.920 10 10 KJCE CCCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)[C@H]2c1ccc(O)c(O)c1 1865034016 NBABLOMENHPZID-NZNCXITGSA-N 534.579 4.845 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1cccc(F)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865547985 VEBQVUPFZNRFCB-SANMLTNESA-N 547.675 4.683 10 10 KJCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OC)CC[C@H](C(C)(C)C)C4)CC2=O)cc1 1865925884 TXDLBQQUUOQIAC-ROUUACIJSA-N 526.655 4.854 10 10 KJCE CCN(CC)c1cc(C)c2[nH]cc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866473114 PUKHNTZEDQGTHK-HHHXNRCGSA-N 503.691 4.706 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867178723 WBQJBSQKCUJPBR-JGCGQSQUSA-N 547.615 4.797 10 10 KJCE 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SAPHXTVGRVLYHF-AREMUKBSSA-N 501.583 4.729 10 10 KJCE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 101014785 ANMJWGQMZDTMQD-YSMPRRRNSA-N 604.735 4.920 10 10 KJCE COc1cc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)ccc1OCc1ccc(Cl)cc1Cl 101965040 SZTRRWIRMRZUAA-RWMLIFJVSA-N 542.418 4.710 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(C(F)(F)F)cc1 103083036 ZPOFLBNVFPAOSU-XMMPIXPASA-N 530.522 4.650 10 10 KJCE O=C(Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(/N=N/c3cc(Nc4ncnc(Cl)n4)ccc3S(=O)(=O)O)c(O)c12)c1ccccc1 1073246348 JFCHAJHZXQDPLO-JEIPZWNWSA-N 736.122 4.535 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OC)cc4C)c3C)C2=O)c1 1084134087 AZPNYQATMQWYNP-HAHDFKILSA-N 545.592 4.653 10 10 KJCE O=C(CCNCc1cc(Cl)cc(Br)c1O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1860658490 WMDFYGUJLOLGIF-UHFFFAOYSA-N 513.775 4.702 10 10 KJCE COc1cc(CNCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1OCc1ccccc1 1860719638 HOLZTLMFYFCTKM-UHFFFAOYSA-N 506.558 4.778 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865029739 UKUUIZCNHDEHSW-WNGDZKDKSA-N 524.621 4.944 10 10 KJCE CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)sc(C)c1-c1ccc(Cl)cc1 1865943569 ROOOYSGLJXHNKH-UHFFFAOYSA-N 533.027 4.872 10 10 KJCE COC(=O)c1c(NC(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)sc(C)c1-c1ccc(C)cc1 1866060943 DHZSTUODIXNITG-UHFFFAOYSA-N 508.600 4.731 10 10 KJCE CC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866660430 UXQQOERTXSUQKQ-JOCHJYFZSA-N 525.536 4.641 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(F)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970773 XKONWHIYJDTQHR-FRKPEAEDSA-N 512.589 4.702 10 10 KJCE COC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)c1 1873421066 FEXIZCUIYDBDQG-UHFFFAOYSA-N 515.610 4.888 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(F)cc3F)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423072 CVRAYOJLAMINNP-UHFFFAOYSA-N 501.537 4.851 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C1 2314476726 ULEIMALUOKSISN-SZPZYZBQSA-N 591.759 4.508 10 10 KJCE O=C(COc1ccc([N+](=O)[O-])cc1C=C1SC(=S)N(C2CCCCC2)C1=O)Nc1nccs1 2314486683 BAYHYYGYTZPQFY-UHFFFAOYSA-N 504.615 4.603 10 10 KJCE Cc1ccsc1CN(C(=O)CCCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600128 IOBKXBVCFNFBJE-LJQANCHMSA-N 569.195 4.907 10 10 KJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526470610 AQDWWGCBYWXKJP-QFIPXVFZSA-N 511.914 4.612 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1Cl 1865168140 SMMDKKUXBFCDMZ-DEOSSOPVSA-N 536.076 4.561 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867840557 OONIKYMCPSENBE-FQLXRVMXSA-N 516.661 4.576 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(n5cnnc5C)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869261625 IPPBMMWLAMXUCH-UHFFFAOYSA-N 545.091 4.874 10 10 KJCE CN(C)[C@H](Cn1cc(OCCO)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1)c1ccc(O)cc1 1870793222 UDOYHYHJZBAINB-MUUNZHRXSA-N 514.626 4.584 10 10 KJCE CCN(CC)C(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871085997 VOZZQMIVLSBIED-UHFFFAOYSA-N 506.647 4.614 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C(=O)OC(C)C)c3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873426443 YMHDMPNGLOMIQR-UHFFFAOYSA-N 537.620 4.817 10 10 KJCE CCc1ccccc1OCC(=O)Nc1cccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)c1 1874723877 SRZHELJUDXVMGT-UHFFFAOYSA-N 501.627 4.670 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCCSc4ccc(C)cc4)c(OC)c3)C2=O)cc1 2293128233 GLGWRMGDBYJIMP-UHFFFAOYSA-N 518.591 4.850 10 10 KJCE COc1ccccc1OCCOc1c(Br)cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 2297341015 CWVCVCNQMZVIPM-UHFFFAOYSA-N 577.482 4.864 10 10 KJCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(sc(=Cc3ccc(N4CCCC4)cc3)c2=O)=N1 2297635300 MTELMTCZTUAPFS-MUUNZHRXSA-N 538.648 4.613 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 2313557581 GVJJAQBQTINPFK-UHFFFAOYSA-N 543.320 4.981 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C\c4ccccc4C(=O)O)SC3=S)cc2)cc1 16905927 XHJYTIRQAAWGNS-HYARGMPZSA-N 504.589 4.818 10 10 KJCE COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)=NC2=O)cc1 54201727 KMGFFFMBJLDUTE-UPVQGACJSA-N 500.580 4.579 10 10 KJCE COc1cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 96450463 XUCQCBOHCAVWPL-XJWHVNBWSA-N 503.005 4.746 10 10 KJCE COc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=N)N4C(SC)=NSC4=NC3=O)cc2OC)cc1 104484990 BJBJUOXPWRBHEE-SSOZYACPSA-N 533.031 4.755 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(C)CC2)SC1=S 110529064 UKUDVECVCGKYFU-HLJDWQABSA-N 543.803 4.998 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(CC(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526625001 ITRGRFXSEQEFLJ-MHZLTWQESA-N 519.550 4.668 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 1084098773 IHEOPTVNWUVKMY-NDENLUEZSA-N 539.313 4.532 10 10 KJCE CCC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862212608 KQPVRRIAACPDIS-MHZLTWQESA-N 509.691 4.785 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864006994 CJNYJGIHYUWCPX-NRFANRHFSA-N 517.413 4.756 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864007829 VXBRWWUCVZUAMU-XMMPIXPASA-N 521.017 4.947 10 10 KJCE Cc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864010320 RXPIQPRNQUUTCD-HHHXNRCGSA-N 542.611 4.624 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2ccncc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014085 NBNHOMTWXVKYKE-SANMLTNESA-N 545.599 4.665 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1865034021 NHLZBGYXRPYJLS-SFHVURJKSA-N 536.938 4.578 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)c2ccccc2)N2CCCCC2)cc1 1867342252 APMUSYAPTUATQG-NSOVKSMOSA-N 502.634 4.706 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)cc1 1868828294 DNSHWXLLYDAPIR-AWCRTANDSA-N 547.696 4.705 10 10 KJCE CCC[C@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868855047 OVLUIEDXEYSDSD-DQEYMECFSA-N 530.507 4.831 10 10 KJCE CCC[C@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868928325 DKVXUUDFULVQJD-HKBQPEDESA-N 566.702 4.716 10 10 KJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873170200 QRRLUPVOOZUIQZ-UHFFFAOYSA-N 508.707 4.702 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC)c(OCC)c3)C2=O)c1 2313556121 NHADCROYBIMEKH-UHFFFAOYSA-N 547.402 4.710 10 10 KJCE C[C@@H](NC(=O)CCCCCN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)SC1=S)C(=O)O 2314836592 HFWNVKULYANAQZ-GOSISDBHSA-N 512.653 4.617 10 10 KJCE CN(C(=O)CCCN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 16922744 FHZDNGCHMOMDBH-AQTBWJFISA-N 506.552 4.631 10 10 KJCE Cc1cccc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3CCC(C(N)=O)CC3)nc12 38732808 DCQOJSALOMYFEC-QJOMJCCJSA-N 516.692 4.689 10 10 KJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cc(Br)c(O)c(Br)c1 100454615 SQTIDZGKKIPQOI-WZUFQYTHSA-N 561.049 4.511 10 10 KJCE COc1cc(/C=C2/C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1ccc(F)cc1 105792549 OPGXICQBZNABBK-ATASTKJTSA-N 530.537 4.752 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864013054 PCFKPWOKCFLUGT-HHHXNRCGSA-N 538.648 4.923 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)cc1 1865034518 YCXGZZRRBBIFIW-HRAATJIYSA-N 542.558 4.765 10 10 KJCE CC(C)(NC(=O)[C@@H](Cc1ccncc1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866693517 FHGPWYRUOBNKFY-VWLOTQADSA-N 517.585 4.717 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(OC(C)=O)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867584447 WKHXPCDEEDQOOQ-ACQOMNHGSA-N 681.834 4.757 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOC(C)C)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873165819 WOLAKNGXTKVXNO-UHFFFAOYSA-N 510.638 4.913 10 10 KJCE CCCCC[C@H](CC)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873166721 FSWGIBJSRYSNJT-SANMLTNESA-N 520.718 4.845 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCC4)C3=O)c(N3CCc4ccccc4C3)nc12 2296547651 URCHHRQKWBCLEH-UHFFFAOYSA-N 502.665 4.709 10 10 KJCE CC1=NN(c2ccc(I)cc2)C(=O)C1=Cc1c(C)nn(-c2ccc(I)cc2)c1O 2297452991 BKXWSZGENRXRIR-UHFFFAOYSA-N 610.193 4.902 10 10 KJCE CCOc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OCC(=O)Nc1ccccc1C(C)C 2297577666 NILHBJGZNBCEOR-UHFFFAOYSA-N 514.625 4.512 10 10 KJCE CCCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC1=S 2314475821 CYSOVKVCCLWDIQ-UHFFFAOYSA-N 582.773 4.952 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N(CC)CC 2314764540 FZBHKKBBHQLZBR-UHFFFAOYSA-N 548.086 4.532 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)cc1OC 2314765122 VJAGYWFOZCUUEE-UHFFFAOYSA-N 612.955 4.905 10 10 KJCE NC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)sc2c1CCCC2 1776427 BADPNZLHXOXERH-VIZOYTHASA-N 526.492 4.873 10 10 KJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3cc(Cl)ccc3OC)ccc21 20729321 WXRKYGUDDKEVHE-UHFFFAOYSA-N 503.112 4.652 10 10 KJCE CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39991291 WVNINCRCLXEARE-MLPWYGTASA-N 514.717 4.589 10 10 KJCE CCN(CC)c1ccc(CN(CC2CC2)C(=O)COC)c(OS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 96294647 CGFQFTDMPXANDG-UHFFFAOYSA-N 529.486 4.992 10 10 KJCE COCCN1C(=O)/C(=C\c2ccc(O[C@H](NC(=O)c3ccco3)C(Cl)(Cl)Cl)cc2)SC1=S 102855995 CWGNYXTTZQWBBH-OTMARIDSSA-N 535.858 4.632 10 10 KJCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 150650926 KSFLWEJFZRYTQJ-BRPDVVIDSA-N 665.845 4.574 10 10 KJCE O=C(CCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccccc1)[C@@H]23)NCc1ccc(N2CCOCC2)cc1 257189093 NITNHTILGYGRFT-VVHQHVLRSA-N 530.757 4.685 10 10 KJCE O=C(CCCOc1ccccc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860555909 XLGRSDIJVSKKMP-UHFFFAOYSA-N 505.530 4.907 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC24CC5CC(CC(C5)C2)C4)[C@H]3c2ccc(O)c(O)c2)cc1 1864008927 VESAPECIWCQSIL-WTQBOQAGSA-N 526.637 4.680 10 10 KJCE CCC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866677473 NQLGULANXLREGI-VWLOTQADSA-N 551.599 4.900 10 10 KJCE CC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867707008 LYLBLPHHHVCZRY-WUFINQPMSA-N 508.707 4.639 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867881616 FMDOHZNICYXISS-RPLLCQBOSA-N 530.069 4.556 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C(C)C)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869318323 DASIPBRPTYHQNL-PMERELPUSA-N 539.684 4.970 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1 1869970512 MCUWDSKKONLTDT-UHFFFAOYSA-N 527.069 4.819 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3[N+](=O)[O-])C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427194 GHHXIPOXPRORGI-UHFFFAOYSA-N 534.016 4.942 10 10 KJCE [N-]=[N+]=NCCCCCCOCCCCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2080392652 XTRFVWPKELKMMN-XMMPIXPASA-N 598.701 4.661 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c(Br)c(I)c1O 101602138 NAXNCRSUYUITGS-JYRVWZFOSA-N 513.129 4.574 10 10 KJCE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110526762 OUOVJNLYZWCSLG-PLRJNAJWSA-N 593.775 4.611 10 10 KJCE COc1ccc(CCNc2c(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c(C)c(C#N)c(=O)n2C)cc1OC 143268713 YNDRMEDLIBVIDC-MYYYXRDXSA-N 560.701 4.639 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864008557 MYDIRXBHRKFAHB-QHCPKHFHSA-N 537.403 4.910 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)c1 1864011682 JXMLEQCNZTVAPC-RUZDIDTESA-N 531.012 4.624 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864019163 HIZNOHQBWFKLSS-QFIPXVFZSA-N 509.006 4.643 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865032707 IPWZQUSGURKSFX-HXUWFJFHSA-N 517.413 4.716 10 10 KJCE CCc1sc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 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CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(C)c(C)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867894808 RLHYLZJBQJXOKI-CZNDPXEESA-N 584.761 4.979 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@H]5C4)nc(C(C)(C)C)n3)CC2)cc1 1869191222 PALIAAMVICRKMZ-HHHXNRCGSA-N 530.692 4.668 10 10 KJCE CCOCCCN1C(=O)C(Nc2ccc(OC)cc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422875 TYOVPZUKLUPVST-UHFFFAOYSA-N 503.599 4.730 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4ccc(Cl)cc4)cc3)CC2)cc1 1874742722 YVIBFFKMUCEBLQ-UHFFFAOYSA-N 509.002 4.728 10 10 KJCE Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1 2294134056 QITRBMLCFHYLHH-UHFFFAOYSA-N 510.300 4.901 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OC(=O)c1cccc(C)c1 2297468439 SLZUKFSOVLDNOP-UHFFFAOYSA-N 511.563 4.675 10 10 KJCE CC(C)[C@H](C(=O)NCCc1ccc(O)cc1)N1C(=O)C(=Cc2ccc(Br)cc2)SC1=S 2297580018 HLBHTDPTIGZEFV-HXUWFJFHSA-N 519.486 4.739 10 10 KJCE COc1ccc(C=C2SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C2=O)cc1 2314397444 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520.630 4.677 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865032357 AUCJBYQTCTWCHV-VWLOTQADSA-N 508.578 4.520 10 10 KJCE CCCC[C@H](NC(=O)c1ccc(OC(=O)OCC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867298156 ALNDXKMBHZQQSD-WUFINQPMSA-N 552.716 4.920 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867345546 LEESJUPQIBEHAR-CONSDPRKSA-N 574.697 4.502 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867844321 AHIWBIZMHNEGKZ-POURPWNDSA-N 602.692 4.562 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@H]3C2)n1 1868387267 XDESUJMHCNRUGW-AREMUKBSSA-N 543.627 4.894 10 10 KJCE COCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)C[C@H]1C 1868564679 QVXZXCPITSQIDP-OYRHEFFESA-N 548.647 4.603 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCc3csc(-c4ccccc4)n3)c3ccccc3)CC2)cc1 1868906301 PMHLJXSPJYFUKY-LJAQVGFWSA-N 540.689 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4.523 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(NCCCOCC)nc3ccccn3c2=O)SC1=S 33498248 GMWBUOUZGOUQDY-HWLQVLAGSA-N 502.706 4.951 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 34387138 JBAKCUAYKDWPIB-HYARGMPZSA-N 522.696 4.940 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 102688357 LUPCPCLMEGTGJN-MQHZAWOVSA-N 572.712 4.601 10 10 KJCE CCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110522135 JLXNVTSLWBMDFC-ZOLBUAMYSA-N 602.786 4.734 10 10 KJCE Cc1c(N2C(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 150657746 FNGXFXALZXKBGY-XHLNEMQHSA-N 698.852 4.764 10 10 KJCE CC[C@@H]([C@H](C)O)n1ncn(-c2ccc(N3CC[N+]([O-])(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 1775963186 JYXBGYWADQYMGU-XAKZXMRKSA-N 716.790 4.572 10 10 KJCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864009676 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COc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1Cl 102471485 NRSJJIXONTXBPR-FGECGFKFSA-N 533.997 4.869 10 10 KJCE CCCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143365116 ZOSCBSMLHDQXSM-BKUYFWCQSA-N 542.658 4.646 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OCC(C)C)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526623894 NESOYJVECTYNPM-HHHXNRCGSA-N 503.551 4.905 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc(F)cc1 1084063362 CSXWJQDUHARGJD-LSCVHKIXSA-N 569.339 4.571 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864018967 FOLOVPISGODICT-VVWXKSFDSA-N 523.033 4.889 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865035435 TZVJRTWWPXXZNG-QHCPKHFHSA-N 523.033 4.512 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCNC(=O)[C@@H]2c2ccc(F)cc2)n1 1868386772 HKEGEIAMQNQUFH-NDEPHWFRSA-N 535.579 4.765 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(C)c4)cn3CCCCCCO)CC2)cc1 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CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)ccc21 1867203233 FQPNIBDKGIEMED-MUUNZHRXSA-N 557.606 4.826 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867767503 HNSUPEDUFRTHPI-LMSSTIIKSA-N 594.112 4.704 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867971334 FGBCYBWBSFFTEU-UHFFFAOYSA-N 536.680 4.814 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C(C)=C/c3ccccc3Cl)c3ccccc3)CC2)cc1 1868749647 UEHWFKXHWIYKRX-BDMVNMLNSA-N 504.030 4.958 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3snc4ccccc34)CC2)cc1 1869054076 BHFHMUNYLHYMIW-SANMLTNESA-N 546.718 4.686 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(C)cc4)n(-c4ccc(OC)cc4)n3)CC2)cc1 1869970865 YPXHRVPPJLZQQT-CAOOACKPSA-N 524.625 4.571 10 10 KJCE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN(C)C)C2=O)c1 1873421252 NXGMSIKFIUODAV-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2296725419 AMPOUGCJFWSGHJ-IBGZPJMESA-N 516.069 4.581 10 10 KJCE O=C(O)CCCCCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314842557 ZUPHNEZGZCZNKA-UHFFFAOYSA-N 509.241 4.763 10 10 KJCE C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35333767 WYCFEWFCBGCYAD-XMHGGMMESA-N 516.505 4.566 10 10 KJCE CC[C@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)cc2)C1=O 105666723 STVVWNMHMGIFGF-IRJMIRDBSA-N 534.707 4.916 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Cl)c(OCc4cccc(C(=O)O)c4)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1083990446 KRWAICPPHMGCAR-GDLZYMKVSA-N 662.164 4.804 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)n(-c4ccccc4Cl)n3)CC2)cc1 1862366910 UUCZVUKAVWGUNB-UHFFFAOYSA-N 516.985 4.892 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864012906 MBKJNXMTJJEZPW-ADSMNUKGSA-N 534.632 4.824 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018943 FEXXRNQLUPXVIK-QFIPXVFZSA-N 537.041 4.631 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865032314 ACBHYWAOVZKAHA-PXAQALGRSA-N 523.033 4.698 10 10 KJCE Cc1cc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1F 1867168286 RMSJQRHRYPKPLY-HHHXNRCGSA-N 588.595 4.781 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCOC(C)C)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873165070 ARDCUSPQDDQYTR-UHFFFAOYSA-N 515.610 4.508 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(C3CCCC3)C2=O)cc1 1873420842 XOGHAUJRKSQDQE-UHFFFAOYSA-N 503.624 4.632 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(O)cc5)ncnc4n3Cc3ccccc3)CC2)cc1 1875217987 RKMRZXFFCXJNGM-UHFFFAOYSA-N 548.647 4.768 10 10 KJCE COc1cc2c(cc1OC)CN(C(=O)[C@@H]1C[C@@H](NCc3cc(Cl)ccc3O)CN1CC=Cc1ccccc1)CC2 2297531487 BMBZNQRDTQYDNO-IZLXSDGUSA-N 562.110 4.894 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OC 40940685 CVSZOIYJNDXBBV-BOPFTXTBSA-N 507.431 4.711 10 10 KJCE COC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526350406 AYRBAMZPVSMINA-QFIPXVFZSA-N 526.339 4.713 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864012909 MBKJNXMTJJEZPW-ZIYZLLSTSA-N 534.632 4.824 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864015825 WQZKZWHCZDBAJT-LJQANCHMSA-N 516.520 4.693 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc(OC)cc1)[C@H]2c1ccc(O)c(O)c1 1864016739 WPGVRHAGANNZKK-BVZFJXPGSA-N 540.620 4.952 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864017148 GZHBXGPJKILFJG-FKIZINRSSA-N 517.413 4.762 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865032493 DHVASCROQOSBQH-QFIPXVFZSA-N 509.006 4.597 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865034680 BQZWMLJXKHBJQA-QMHKHESXSA-N 523.033 4.654 10 10 KJCE COc1ccc(-c2cc(C(=O)N[C@H](C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c3ccccc3)nc(O)n2)cc1 1866623912 XHPGOZBRJFPKJV-LJAQVGFWSA-N 584.588 4.743 10 10 KJCE CCC[C@H](NC(=O)c1nc(C2CC2)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866859203 DUKPJNGJPFCIER-QFIPXVFZSA-N 506.562 4.524 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2Br)N2CCCCC2)cc1 1867375248 GXNVJGKPUUMIMS-VMPREFPWSA-N 593.566 4.905 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3[nH]c4c(OC)cccc4c3C2)n1 1869221990 TVADCXFUYYCUHI-UHFFFAOYSA-N 512.658 4.817 10 10 KJCE COCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCC3=CCCCC3)ncnc21 1875224693 FDUUTZOWRMRPMV-UHFFFAOYSA-N 532.689 4.741 10 10 KJCE CCOC(=O)c1sc(NC=C2C(=O)N(c3ccc(Br)cc3)N=C2C)c(C(=O)OCC)c1C 2297453381 QHEVPYFPSHLKEX-UHFFFAOYSA-N 520.405 4.891 10 10 KJCE COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N(c4ccc(O)cc4)C3=O)C2=O)ccc1OCc1ccc(C)cc1 2314832667 LHBPWZCFKABQDP-JOCHJYFZSA-N 560.653 4.822 10 10 KJCE Nc1ccc(CCNc2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)cc1 49694519 CRWAVDCABCBQJR-UHFFFAOYSA-N 699.828 4.747 10 10 KJCE in-vivo Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C\c4ccc(OCCC(=O)O)cc4)SC3=S)cc2)cc1 59815149 JGMRNFUNQDZFBF-LFVJCYFKSA-N 548.642 4.974 10 10 KJCE COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 101013724 YIWQIWJCPPALBL-GNUDVLMQSA-N 612.799 4.575 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 109953440 PJPHEDJQXXNRCH-QQXSKIMKSA-N 615.712 4.599 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864016982 BGKIIBHXLMKCLW-NRFANRHFSA-N 541.391 4.757 10 10 KJCE CCCC1=NN(Cc2c(F)cccc2Cl)C(=O)/C1=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1865665625 DLMXQWXTQNRHSO-CAPFRKAQSA-N 516.013 4.781 10 10 KJCE COc1cccc(-c2cc(C(=O)N[C@H](CCSC)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)no2)c1 1867146634 LBWNFPYUOYVUOO-HSZRJFAPSA-N 555.612 4.616 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)N2CCCCC2)cc1 1867619228 UPJQECLIPLQFKK-LQFQNGICSA-N 673.814 4.939 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5C)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867968892 DYPLZBKMOJABAD-UHFFFAOYSA-N 514.718 4.740 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981105 CBTCFEIQKVAIGA-UHFFFAOYSA-N 542.087 4.854 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)/C(C)=C/c3cccc(Cl)c3)c3ccccc3)CC2)cc1 1868750705 VDPWVSOASLKJJR-DYCVSJHOSA-N 504.030 4.958 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4ccc(F)cc4)nc(-c4ccccc4C)n3)CC2)cc1 1869155143 DYDJLHXJGATBOD-PMERELPUSA-N 552.654 4.604 10 10 KJCE CCCCn1c(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873554706 UWKUIPPNTRIGCG-VXKWHMMOSA-N 504.679 4.685 10 10 KJCE CCOC(=O)c1c(C(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2079873275 MOKKPSPPNORCJZ-HNNXBMFYSA-N 508.303 4.952 10 10 KJCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296544476 LSEAUTGHOUFVJP-GOSISDBHSA-N 554.141 4.983 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccc(C)c(C)c1 2297075347 IDIXUTBGSMVCPX-UHFFFAOYSA-N 527.606 4.832 10 10 KJCE Cc1ccccc1OCCCn1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 2297509120 ZCYLZWBYDPBKOI-UHFFFAOYSA-N 571.699 4.957 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OC)c2)SC1=S 2314769665 UAGDWAYPTWVPKX-VWLOTQADSA-N 556.706 4.838 10 10 KJCE C[C@@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314837982 ZIZBJTIVBCIWEY-VIFPVBQESA-N 586.283 4.844 10 10 KJCE CCCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N(CCCOC)C2=O)c(C)c(C#N)c1=O 40066926 IJSUWBSWIFCUPA-QJOMJCCJSA-N 524.712 4.721 10 10 KJCE COCCNC(=O)c1cccc(CSc2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(C(C)(C)C)n2)c1 98015405 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10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864017453 MQVDAJZUUSMNDO-WXTAPIANSA-N 524.621 4.980 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865027423 XVTRAHHSGKMUAF-YWTKSJFSSA-N 523.033 4.504 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865033118 SFSYKPSBVNUIRX-HHHXNRCGSA-N 538.648 4.875 10 10 KJCE CCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867174677 LKMAUBYCNVKYPV-HSZRJFAPSA-N 547.615 4.797 10 10 KJCE COc1ccccc1C(=O)N[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867914908 OXWNQCATWRZXCB-PXJZQJOASA-N 514.670 4.576 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)(C)C)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1869074673 RUIDFHKTAVSORI-UHFFFAOYSA-N 514.718 4.571 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@@H]4C3)n2)cc1 1869338469 GBHGZBXDQISMMH-HKBQPEDESA-N 608.718 4.963 10 10 KJCE C[C@H](O)Cn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871192886 RAIWRSPBKZQOII-FQEVSTJZSA-N 516.573 4.741 10 10 KJCE CCOC(=O)N1CCN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)CC1 2314399281 HICVAGJUNWJFRG-UHFFFAOYSA-N 629.805 4.770 10 10 KJCE CCOC(=O)c1sc(NC(=O)COc2ccc(C=C3SC(=S)N(CC(C)C)C3=O)cc2)nc1C 2331594808 CSJNUVXDBJPIQA-UHFFFAOYSA-N 519.670 4.503 10 10 KJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 100441707 YAMRNIPNQLBZFA-MHWRWJLKSA-N 531.771 4.892 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 100860484 FPFPQGSBWLKSFN-LPYMAVHISA-N 538.695 4.532 10 10 KJCE O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 101283044 PQAPEQDTRDHKIM-QWQBBLJPSA-N 567.129 4.676 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101911328 STBLUYBFZNXTJU-QXTKEPIPSA-N 558.747 4.519 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864016940 APDROZKHBKZUMD-JOCHJYFZSA-N 537.041 4.614 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3cccc(I)c3n2)N2CCCCC2)cc1 1866527879 KMIVACWPFBMUIU-JOCHJYFZSA-N 544.437 4.568 10 10 KJCE Cc1ccc(-c2nc(CC(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)cc1 1866651663 BURNFTOPTMCBTA-UHFFFAOYSA-N 521.573 4.810 10 10 KJCE O=C(N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1 1867147815 LOJYODNREMJWOO-AREMUKBSSA-N 550.640 4.733 10 10 KJCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867418833 VYRZYLYYRDXFBQ-JHOUSYSJSA-N 641.788 4.828 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1 1868759873 AJGZHXPBRWZVAL-SSEXGKCCSA-N 569.731 4.570 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4OC)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970907 SKKSOWZBBFCJOS-UHFFFAOYSA-N 519.005 4.517 10 10 KJCE COCCCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870933315 IIMRCCAAGFYGHS-UHFFFAOYSA-N 513.598 4.653 10 10 KJCE 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NC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1864014386 UCJATBVZEAVIGG-AREMUKBSSA-N 530.584 4.962 10 10 KJCE C[C@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1)c1ccccc1 1864015421 QRTSZDBYSNHNOD-YCRPNKLZSA-N 536.510 4.874 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864019183 HPIQYSNFOGIUSX-HSZRJFAPSA-N 534.975 4.649 10 10 KJCE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865025893 FBKDAUASTNBZJN-QHCPKHFHSA-N 543.451 4.911 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865029024 DFEIBIQLDPTHDE-QMHKHESXSA-N 523.033 4.843 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865029052 FBBJTJIFARNRHJ-AREMUKBSSA-N 538.604 4.665 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865031546 JFIDKQDHRYRLSD-HSZRJFAPSA-N 504.631 4.961 10 10 KJCE CCCc1nn(C)c2c1[C@H](c1ccc(C(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865150289 DCKLSTAHMHWIJW-SANMLTNESA-N 529.685 4.548 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N2CCCCC2)cc1 1865996641 TYOVAKKLLARQGS-KYJUHHDHSA-N 528.697 4.934 10 10 KJCE C[C@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867065098 GKCGZSXWYIDLFQ-INIZCTEOSA-N 527.577 4.801 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867476686 HBUNPORGIYHFDL-ZWXJPIIXSA-N 624.786 4.576 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867786862 XGOPUKXQFYOOSA-GGXMVOPNSA-N 564.731 4.503 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5F)CC4)nc(-c4ccccc4)n3)CC2)cc1 1867972074 QCJYPDKTIFBPRY-UHFFFAOYSA-N 524.644 4.945 10 10 KJCE COCCN1[C@@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)(C)C)n2)C[C@@H]1C 1868341369 RXPZRWAWQJMAGC-PMACEKPBSA-N 527.669 4.839 10 10 KJCE CCCC[C@H](NC(=O)Cc1nc(-c2ccc(C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868639344 KNWFHTKUGLZXSA-SANMLTNESA-N 518.658 4.533 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C(C)=C/c3ccccc3Cl)CC2)cc1 1868749672 UTOBJLZZAJVZFN-FUZQEDAYSA-N 518.057 4.828 10 10 KJCE CC[C@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868834410 CKWUTXMKRGVPAJ-WUFINQPMSA-N 536.072 4.624 10 10 KJCE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c1 1873423050 CEGBQLWKMSOKSF-UHFFFAOYSA-N 522.609 4.531 10 10 KJCE N=C1C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 2297455634 MBYVZXGBKTXEFX-UHFFFAOYSA-N 514.239 4.799 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314400996 UDYJNIAKTAWWHU-GBESFXJTSA-N 520.680 4.579 10 10 KJCE CCn1c(NCCc2ccc(OC)c(OC)c2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 143240316 UDWQYVFXRQXHNF-VYYCAZPPSA-N 618.737 4.850 10 10 KJCE CCOc1c(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 1084079333 PNGDPEOSUJOKTM-RIYZIHGNSA-N 599.219 4.744 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(F)cc1 1084511637 ZGAQKEJWSDPRML-GRSHGNNSSA-N 590.320 4.823 10 10 KJCE O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCOc2ccccc2F)c2ccc(Br)cc12 1084533023 HZRDSDKXKVPSRY-NDENLUEZSA-N 552.356 4.877 10 10 KJCE Cc1ccc2nc(N3CCC[C@@H](C)C3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 1772721319 IAUSQVMBSGCJSS-YQODDJSKSA-N 508.644 4.780 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864010850 PPLJGZCQVAEMQM-AREMUKBSSA-N 542.611 4.737 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864012842 KRYNEGOWZJGWLV-AREMUKBSSA-N 542.611 4.754 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015471 RWQNVODXMXMMIF-KZULUSFZSA-N 536.938 4.624 10 10 KJCE 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4.974 10 10 KJCE CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 206723281 IQRJYOFLBFKQJF-XLNRJJMWSA-N 536.716 4.657 10 10 KJCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc4ccccc34)[C@H]2c2ccc(O)c(O)c2)c1 526287883 VYHDDVSPXAWWSO-AREMUKBSSA-N 525.513 4.881 10 10 KJCE CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OCC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526567404 OPBAISKUXKRKOY-SANMLTNESA-N 519.550 4.747 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864011377 SZEZUEQQQCYYCS-QBFCQJJASA-N 532.641 4.634 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865031013 XFEJEGHCDUPODL-VWLOTQADSA-N 516.642 4.557 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867470719 WQJZAELQSPOJNY-SXLOSVNLSA-N 699.824 4.672 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869268373 QMGVVHDQZBJAAL-LJQANCHMSA-N 516.049 4.979 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873162520 ZGOBPBSVGMMDNG-VWLOTQADSA-N 508.622 4.667 10 10 KJCE COc1c(Br)cc(Br)cc1C=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O 2297510247 UXMNLAMZHPRYFN-UHFFFAOYSA-N 512.198 4.573 10 10 KJCE COc1ccc([C@@H](CNC(=O)CN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)N2CCCCC2)cc1 2314625286 XBWJDBRXJLTIOJ-JOCHJYFZSA-N 530.115 4.893 10 10 KJCE CC[C@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(OC)cc2)C1=O 33468034 SEQBTWGZPWGQAD-ODENVGOISA-N 520.680 4.873 10 10 KJCE CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O 110527295 ISJHAMVYQDZSOC-GJQHCVRFSA-N 553.729 4.904 10 10 KJCE CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)C(=O)NC1=S 1084220207 UUUAMJWCRAAVKD-NDENLUEZSA-N 507.999 4.839 10 10 KJCE CCOc1c(I)cc(I)cc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 1084559396 GZUCLCPTEUJDGA-VGOFMYFVSA-N 622.584 4.614 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 1864007469 NMKHHBCTNLWGJW-VWLOTQADSA-N 531.012 4.873 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864012520 BYVIRLRJYKCXRA-RUZDIDTESA-N 518.658 4.913 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865032312 ACBHYWAOVZKAHA-KXNSMUHISA-N 523.033 4.698 10 10 KJCE CCCCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870773347 CLGPOKRXXBRJAT-UHFFFAOYSA-N 505.659 4.745 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccc(NC(C)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423069 CUMDYJIRPFDBQS-UHFFFAOYSA-N 527.669 4.976 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 2297307667 KGFSUFCGTOSFOG-UHFFFAOYSA-N 562.570 4.968 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(I)cc1 2313557811 MLBAYRRGHBEZFM-UHFFFAOYSA-N 572.330 4.684 10 10 KJCE CCCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2314413805 IHHHHRKMBSDINY-UHFFFAOYSA-N 538.695 4.758 10 10 KJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 101738796 GQDDFKFITBDPKO-QXHVWWCLSA-N 556.706 4.838 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(Br)c1OCC(=O)NCc1ccccc1 103071986 REDHERGRPQXDPX-SSDVNMTOSA-N 578.419 4.657 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CCN(c4ccccc4)CC3)SC2=S)cc1 110520148 MNZUHBZALISFDX-ONUIUJJFSA-N 555.729 4.602 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4C)c3C)C2=O)c1 1083911713 MSDDRRBEQOUNDE-HMAPJEAMSA-N 532.553 4.775 10 10 KJCE COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1Br 1084067023 JKTAKMHHPFWSOR-MDWZMJQESA-N 508.166 4.503 10 10 KJCE CCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862252876 PJLRNHWYPDWICF-RUZDIDTESA-N 511.663 4.520 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008456 KQJQQMKEPABLKW-DEOSSOPVSA-N 516.985 4.565 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864015304 OCDBZDASXYLWHB-GOSISDBHSA-N 536.938 4.813 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867836923 YITDGFCNGCCVMG-BHBYDHKZSA-N 620.682 4.701 10 10 KJCE COc1cccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCN(C(=O)C4CC4)CC3)n2)c1 1868506151 RVVTUQUGTIHYTH-UHFFFAOYSA-N 559.626 4.730 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@H](c5cccnc5)C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869172941 OEFDZZLOUQLLMQ-NDEPHWFRSA-N 522.653 4.760 10 10 KJCE Cc1ccc(NC(=O)COc2cn(C[C@@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871159614 ORVSVLKPCCTJMI-JOCHJYFZSA-N 512.610 4.911 10 10 KJCE COc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)cc3C2=O)cc1 1874017902 YASHQXCXYSQESD-UHFFFAOYSA-N 502.482 4.524 10 10 KJCE CCCCCCN1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 2296547568 BPNNRWAQPPGVET-NRFANRHFSA-N 522.696 4.930 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 2313558477 BTVWOBALVFFEEO-UHFFFAOYSA-N 556.369 4.907 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 2314408541 AWEQNKKXSJBIBE-UHFFFAOYSA-N 585.730 4.913 10 10 KJCE O=C(CN1C(=O)C(=Cc2cccs2)SC1=S)Nc1nnc(SCc2ccc(F)cc2)s1 2314578391 NMAYNBTZUBACGL-UHFFFAOYSA-N 508.672 4.871 10 10 KJCE CCN1CCCc2cc(CN(CCN3CCOCC3)C(=S)Nc3ccc(Cl)cc3OC)ccc21 20729368 XJSQIRXLOBFGGF-UHFFFAOYSA-N 503.112 4.652 10 10 KJCE Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]c1=O 34164766 AZPSSDWPMSICSH-KKUQBAQOSA-N 509.566 4.820 10 10 KJCE CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 39845141 JZSRQRUFLIXZJA-UHFFFAOYSA-N 519.623 4.908 10 10 KJCE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990498 QFOJVBCWEHRTCY-XLLGHEEISA-N 530.760 4.939 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCc1cccc(C(=O)O)c1 101678722 JOIBSGCQKROJJJ-MTJSOVHGSA-N 534.952 4.991 10 10 KJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccccc1OCc1ccccc1 102422454 DWKOMUHVFKNMIM-BWAHOGKJSA-N 500.580 4.966 10 10 KJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 102465612 JPLNTMQLEMCCNA-UQQQWYQISA-N 545.577 4.875 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 103858101 CKSYFVIKBKSGDW-YVLHZVERSA-N 583.307 4.733 10 10 KJCE COc1ccc(N2CCOCC2)cc1C(=O)N1CCN(Cc2ccc(F)cc2)CCCN(C(C)=O)c2ccccc2C1 643559931 UEGQIAAJHHGERG-UHFFFAOYSA-N 574.697 4.572 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 1084258725 LXBOJJINPNUISA-MOSHPQCFSA-N 522.311 4.603 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865032623 HCKAUJNBAJBLDZ-XMBZSLMXSA-N 528.653 4.968 10 10 KJCE CC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867642233 HNHRWFYMYBXIFL-LOYHVIPDSA-N 541.696 4.526 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868847172 CKNPBEILKSVWMQ-JSOSNVBQSA-N 575.681 4.576 10 10 KJCE CC[C@](C)(NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868935819 MTSGIGVQCGMMDT-UMSFTDKQSA-N 566.702 4.716 10 10 KJCE CC[C@@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868960459 CJEUWBJCFQXVLR-NTKDMRAZSA-N 546.506 4.594 10 10 KJCE NC(=O)COc1cn(CCc2c[nH]c3ccccc23)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871115046 QWIXZFFRNDAOIQ-UHFFFAOYSA-N 507.594 4.792 10 10 KJCE CCCOC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871234992 QYOGJEVYYJTHBH-UHFFFAOYSA-N 501.587 4.502 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(Cc4ccccc4)CC3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873162076 FJRYOVAYOKPWCH-UHFFFAOYSA-N 562.718 4.715 10 10 KJCE CCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427169 FITAUENWWVXPOM-UHFFFAOYSA-N 540.664 4.947 10 10 KJCE CCOc1ccc(OCC(=O)Nc2ccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1874758696 GBEYLJFYXJOEOD-UHFFFAOYSA-N 517.626 4.506 10 10 KJCE CCCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccccn3c2=O)SC1=S 2296544536 XCCJWRHFKDJSPF-UHFFFAOYSA-N 563.749 4.811 10 10 KJCE COc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 2297306624 HECUWPQNQLQRMT-UHFFFAOYSA-N 537.012 4.901 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(I)c1OCCOCCOc1ccc(C)cc1 2297306632 KXKWAXQGWTWCNK-UHFFFAOYSA-N 585.485 4.914 10 10 KJCE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4C=CSC4=NC3=O)cc2Br)cc1 33682317 HHCYLIRYLSARHH-CYPXAJCBSA-N 500.374 4.692 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)O)C2=O)c1 39835744 PYMCVZOGFLQJTI-CPNJWEJPSA-N 509.609 4.595 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 103850372 PGMZPWZGTLPVDM-OCKHKDLRSA-N 583.366 4.961 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=S)N(Nc3nc4ccccc4s3)C2=O)cc1 150439143 OSBWKRFVFGMOTR-MTJSOVHGSA-N 676.621 4.952 10 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CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867921690 PDVITHTYHCKVSA-HEVIKAOCSA-N 665.766 4.965 10 10 KJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2cc(C)cc(C)c2)C1=O 1873170384 XIVRAOJZZBKRHR-UHFFFAOYSA-N 515.654 4.886 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c([N+](=O)[O-])c1 1873425044 PLFVANMNNIGVGX-UHFFFAOYSA-N 531.613 4.545 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 2313559627 IBKVLLPUHXDOQS-UHFFFAOYSA-N 515.703 4.727 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3c(C)cccn3c2=O)SC1=S 100880625 SMYQWPRBLXHEQL-PTGBLXJZSA-N 551.713 4.860 10 10 KJCE COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1Br 1083915057 KXNSYPPOEGOTNY-JYRVWZFOSA-N 508.166 4.503 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)sc(C)c1-c1ccccc1 1860760221 WQTCAHFLIAERDP-QFIPXVFZSA-N 505.640 4.792 10 10 KJCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864012047 PUHHFZZCXIUOML-MHZLTWQESA-N 542.611 4.624 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865027420 XVTRAHHSGKMUAF-DXMSMQRWSA-N 523.033 4.504 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867420434 QLPISGMUDXLLEY-LOYHVIPDSA-N 589.781 4.637 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CO)NC(=O)c2cccc(N3COc4ccc5ccccc5c4C3)c2)N2CCCCC2)cc1 1867639082 BNRGZTGYLFCIEC-SZAHLOSFSA-N 621.782 4.696 10 10 KJCE CC[C@@H](NC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868861546 IDIMLJLIOKLPQE-DNQXCXABSA-N 506.474 4.985 10 10 KJCE CC[C@](C)(NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869006670 CHOIBDPNSINMBM-NDEPHWFRSA-N 569.500 4.597 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4C)cn3Cc3cccnc3)CC2)cc1 1870627043 XKQHFFAXJMVFKP-UHFFFAOYSA-N 510.638 4.510 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4cccc(C)c4)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871522276 HYIAFMAUMDPGQT-UHFFFAOYSA-N 516.049 4.946 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873420994 BGYCXCNHWQMUSD-UHFFFAOYSA-N 542.680 4.938 10 10 KJCE Cc1cccc(OCCn2cc(C=C3C(=N)N4N=C(CC(=O)N5CCCC5)SC4=NC3=O)c3ccccc32)c1 2296630455 RSBICWALSIEUJM-UHFFFAOYSA-N 540.649 4.660 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccc(F)cc1 2313540900 AREHOAVUPQNNPM-UHFFFAOYSA-N 586.357 4.993 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829258 STBLUYBFZNXTJU-KAGYGMCKSA-N 558.747 4.519 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252676463 XDTSTILBSCRLIA-SANMLTNESA-N 593.061 4.686 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864021320 AOEGMUJRJBPJEX-HSZRJFAPSA-N 544.995 4.586 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@@H]3c3ccccc3)CC2)cc1 1865012213 HQYIHXJHOUSOHY-NDEPHWFRSA-N 535.648 4.541 10 10 KJCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc4c(c3C(=O)OC)CC[C@@H](C(C)(C)C)C4)CC2=O)cc1 1865925885 TXDLBQQUUOQIAC-ZWKOTPCHSA-N 526.655 4.854 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@H](N)Cc2ccc(O)cc2)sc(C)c1-c1ccc(Br)cc1 1866018100 PWFWSGBINMULIJ-GOSISDBHSA-N 503.418 4.877 10 10 KJCE COc1ccc(-n2nc(C)c3cc(C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cnc32)cc1 1866255563 XEKJODGWOQNEEL-NDEPHWFRSA-N 512.658 4.761 10 10 KJCE CSCC[C@H](NC(=O)c1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866823868 IWTHZMMHGCTRCO-QFIPXVFZSA-N 525.586 4.607 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc(C)c(Br)c3)c3ccccc3)CC2)cc1 1869028595 VEFQQJXKSIFYJA-MHZLTWQESA-N 536.470 4.515 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@@H]4c4cn(C)c5ccccc45)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869320096 UPWFSSITPPBIRQ-XIFFEERXSA-N 603.727 4.657 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S 2296342639 LHSKPHIRAVTDFE-UHFFFAOYSA-N 537.686 4.552 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc(F)c1 2313557675 JEHJEHLTPHIUQE-UHFFFAOYSA-N 590.320 4.823 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2313557880 NZPQORHPNFGNPP-UHFFFAOYSA-N 601.297 4.872 10 10 KJCE O=C1C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314408637 VWYDPFAAESBKJO-UHFFFAOYSA-N 575.666 4.701 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 102686674 BMGLSCPRZTZTDQ-HAVVHWLPSA-N 552.722 4.682 10 10 KJCE Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 207096345 PSGALFLLXWMMIS-UUYOSTAYSA-N 505.508 4.620 10 10 KJCE O=C1CCC(=O)N1CN(N=Nc1ccc(I)cc1)c1cccc(I)c1 1084626064 IYPHCMOROPUOKJ-UHFFFAOYSA-N 560.133 4.508 10 10 KJCE O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860554077 JQMDVJKAMJYXBJ-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864010920 QLNJTPZFJUZKBM-HSZRJFAPSA-N 541.048 4.515 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@@H]3c2ccc(O)c(O)c2)c1 1864012417 ZKUTVFFNZIQORT-NDKUEENFSA-N 516.642 4.657 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012454 ADAJAIOBLUZTQS-HHHXNRCGSA-N 538.648 4.739 10 10 KJCE CCCc1nn(CCC)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865657592 XMOCHYYHPJEFJT-SANMLTNESA-N 529.685 4.606 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)/C(C)=C/c3ccccc3Cl)CC2)cc1 1868749518 RNBAYKDCTMDPDS-GGHXFNRVSA-N 536.047 4.967 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN5CCc6c(F)cccc6[C@@H]5C4)nc(C(C)(C)C)n3)CC2)cc1 1869191223 PALIAAMVICRKMZ-MHZLTWQESA-N 530.692 4.668 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)cc4)n(-c4ccc(Cl)cc4)[nH]3)CC2)cc1 1869970897 SBBCVRNCVOZUJP-UHFFFAOYSA-N 523.424 4.584 10 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CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(OCC)cc1 1860762334 CGQYHQLNRWODOK-UHFFFAOYSA-N 540.638 4.614 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011568 VKRZYEWFDZCPHM-JOCHJYFZSA-N 511.022 4.746 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O1 1864016733 WLEGCQAUABJFND-QFIPXVFZSA-N 514.969 4.577 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1cc(C)ccc1C)[C@H]2c1ccc(O)c(O)c1 1864016882 ZNNKCLZDZQFXQM-DEOSSOPVSA-N 510.594 4.609 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019947 RYCOKPDKLONPNU-XMMPIXPASA-N 531.012 4.553 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865032523 FBPLFSJLOJLTRG-DFBJGRDBSA-N 516.642 4.617 10 10 KJCE CCc1sc(NC(=O)CN2C(=O)Cc3ccccc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866218296 ZRXQEEWFGLTRLJ-UHFFFAOYSA-N 541.423 4.690 10 10 KJCE CC[C@@](C)(NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866676824 YMKOLPIGQGBUQQ-JGCGQSQUSA-N 551.599 4.900 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)[C@H](c3ccc(Br)cc3)C(C)C)CC2)cc1 1868855303 RWCRONIPKLRVHV-DQEYMECFSA-N 562.574 4.784 10 10 KJCE CCOCCCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871081371 ACYOMQXKYCAHPK-UHFFFAOYSA-N 506.647 4.878 10 10 KJCE COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296088789 PVDPAYYGPONEGD-UHFFFAOYSA-N 536.009 4.717 10 10 KJCE COc1cc(C=C2N=C(S[C@@H]3C(=O)N(c4ccccc4)N=C3C)N(c3ccccc3)C2=O)cc(OC)c1OC 2297461356 CHYQGZWGIHYDAY-SANMLTNESA-N 542.617 4.981 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3cn(Cc4ccccc4F)c4ccccc34)C(=O)NC2=S)c(OC)c1 2313543678 AZHKTPCQMZWLHF-UHFFFAOYSA-N 515.566 4.677 10 10 KJCE O=C(COc1ccccc1C=C1SC(=S)N(Nc2nc3ccccc3s2)C1=O)Nc1nccs1 2314488126 JFIFIXVLBGBWMB-UHFFFAOYSA-N 525.662 4.999 10 10 KJCE CCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(C)C)c2)SC1=S 110556940 LRUXNPJLOKMFLV-CJLVFECKSA-N 526.709 4.791 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 254404494 TVNLBAMFFHFQDY-MHZLTWQESA-N 511.647 4.514 10 10 KJCE CCCOC(=O)c1cccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526464923 BASLZBMLYMGIPD-DEOSSOPVSA-N 505.523 4.739 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018542 NHSOGHDHFBSFLV-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864023441 ZBMWPUWYDZLRQS-XQSUAETRSA-N 546.590 4.749 10 10 KJCE CCCC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866886341 LGTFIXZPUSRSTO-XMMPIXPASA-N 567.063 4.593 10 10 KJCE CSCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866940108 TWFHKFXTONRNBC-ZDXQCDESSA-N 516.594 4.581 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5cccc(OC)c5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992768 IZCXJTLQYGCTJL-UHFFFAOYSA-N 566.706 4.823 10 10 KJCE CCCC[C@H](NC(=O)CCCC(=O)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868734492 GMYIYULQNXFKLR-VWLOTQADSA-N 558.517 4.835 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](C(=O)CCCc5ccccc5)C4)nc(C)n3)CC2)cc1 1869302454 ONGHEQBUCGZHAB-SANMLTNESA-N 513.686 4.929 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCCOc4ccccc4C)cc3)CC2)cc1 1872720062 LZWVBFPDIIZNKT-UHFFFAOYSA-N 510.656 4.753 10 10 KJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3cccc(C)c3)n4CC(C)C)CC2)cc1 1873577514 VVJLASFZDHGLBR-UHFFFAOYSA-N 512.658 4.661 10 10 KJCE CCCCCCN1C(=O)C(=C2C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 2296712209 KCLDKACKILTXME-UHFFFAOYSA-N 507.681 4.544 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 2297084167 WLWMYIIBGNSDNT-UHFFFAOYSA-N 535.944 4.769 10 10 KJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccc(I)cc2)o1 2297298389 GQYUUOGHWCMNMY-UHFFFAOYSA-N 518.694 4.871 10 10 KJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)cc1 2314504499 WSKSNPJLIOIBIY-UHFFFAOYSA-N 523.636 4.895 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)cc1C 2533379 XVWDJELKLDSFJZ-GHVJWSGMSA-N 503.605 4.653 10 10 KJCE CCCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813469 QURGRDQPXQMCSW-PGMHBOJBSA-N 530.716 4.665 10 10 KJCE CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OCC)C2=O)cc1OCC 40938066 NKATZSZDCHGTOL-VBKFSLOCSA-N 502.452 4.791 10 10 KJCE COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2C(=O)OC)c1C 101673836 MBYUIMFBFNIOIJ-XIEYBQDHSA-N 558.631 4.813 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864020141 WIUFWKMPBQTNTM-HSZRJFAPSA-N 523.033 4.702 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(C)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867329628 ZIIPUIHYXQBTAV-AJQTZOPKSA-N 570.734 4.671 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867779308 DVIAMZZCYFUEFG-LXANVCGNSA-N 628.774 4.651 10 10 KJCE CC/C(=C\C(=O)N[C@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1cc(Br)ccc1OC 1868949945 TUPGDEFMMIOTFM-YJRBMFNESA-N 558.517 4.749 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3ccccc3[C@@H]2C(C)C)n1 1869105345 JVQYDOMUBYRFAK-PMERELPUSA-N 501.675 4.761 10 10 KJCE O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313510426 FNHQERHOMJLBQD-UHFFFAOYSA-N 508.830 4.615 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2314767460 GZEFMKKAZNCNFN-NRFANRHFSA-N 593.521 4.732 10 10 KJCE O=C1c2ccccc2-c2onc3c(N4CCC5(CC4)OCCO5)cc(Nc4ccc5c(c4)OCCO5)c1c23 9780126 XAYBSVOEKQBFNQ-UHFFFAOYSA-N 511.534 4.897 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(N3CCC(C(N)=O)CC3)nc12 100850575 IIFALVGWBFBLIK-FCDQGJHFSA-N 613.806 4.501 10 10 KJCE CCCCSc1nc(O)c2[n+](n1)[C@H](c1ccc(N(CC)CC)cc1OC)N(C(C)=O)c1ccccc1-2 261365939 WIYKUGFVYCQKPW-AREMUKBSSA-O 508.668 4.797 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3c(F)cccc3Cl)[C@@H]2c2ccc(O)c(O)c2)c1 1864009431 HFGCQNFKSUWCCZ-VWLOTQADSA-N 549.002 4.763 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc(OC)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016741 WPGVRHAGANNZKK-IQGLISFBSA-N 540.620 4.952 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865032151 WULXQALSQYNOFS-XMMPIXPASA-N 528.584 4.712 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865034976 IMYLANRMDKIDCJ-UAVUOLJFSA-N 537.060 4.758 10 10 KJCE CC[C@H](NC(=O)C[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866734331 CHPWNQHZDTYFFS-RPWUZVMVSA-N 538.600 4.650 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(Cc5ccccc5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867992769 IZUHKQHDCAYAQJ-UHFFFAOYSA-N 550.707 4.810 10 10 KJCE COc1cccc(-c2nc(Nc3cccc4c3C(=O)c3ccccc3C4=O)cc(N3CCO[C@H](C)C3)n2)c1 1868505836 LDYKNJRFULFQOR-GOSISDBHSA-N 506.562 4.896 10 10 KJCE Cc1nc(C2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(-c4cccnc4)n3)CC2)nn1C 1868563884 IQKBWKDDYLCUPQ-UHFFFAOYSA-N 556.630 4.879 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3nc(-c4ccc(C)cc4)oc3C)CC2)cc1 1868639175 GAWODCXIDNWVHF-PMERELPUSA-N 570.665 4.725 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4C)nc(Nc4ccc(Cl)cc4)[nH]3)CC2)cc1 1871522045 ASRKXHOEEQBVHT-UHFFFAOYSA-N 516.049 4.946 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccn3)C(=O)N(CCCc3nc4ccccc4[nH]3)C2=O)cc1 1873164042 JHRFZMTZZHQUQJ-UHFFFAOYSA-N 530.632 4.868 10 10 KJCE CCCCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873169932 INWFLGILABVQEB-UHFFFAOYSA-N 543.664 4.957 10 10 KJCE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418482 KLBKSZMTFWLEOV-UHFFFAOYSA-N 506.562 4.668 10 10 KJCE [N-]=[N+]=NCCCCCCOCCCCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2080389418 XTRFVWPKELKMMN-DEOSSOPVSA-N 598.701 4.661 10 10 KJCE Cc1ccc(C2=NN3C(=N)C(=Cc4ccccc4OS(=O)(=O)c4ccc(C)cc4)C(=O)N=C3S2)cc1 2293116049 ONAXKDBZXOTTSB-UHFFFAOYSA-N 516.604 4.739 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 2293225716 LOZWTNBSRDKXIM-UHFFFAOYSA-N 544.604 4.843 10 10 KJCE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329507236 MCWAFVUHBJJCSQ-YTTGMZPUSA-N 569.702 4.663 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCOCC2)SC1=S 39989925 HMEVAVRDPANODI-UQRWVXEISA-N 516.733 4.693 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 102464159 QKTAMIQMHOQDCV-WIYIOFQQSA-N 547.980 4.719 10 10 KJCE Cc1cccc(COc2ccc(/C=C3\C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1 103594034 MFBAPZAQDRYYBQ-IYYHIDBJSA-N 501.612 4.596 10 10 KJCE COc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc(Br)c1OC(=O)c1ccco1 104484657 XEJPIDNWTYTXSV-MFEJYIEMSA-N 549.428 4.988 10 10 KJCE C[C@@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105512893 DDGPWAIGMHQNNK-ZFIFVKQDSA-N 544.401 4.571 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 109951328 VHJUCAYUDFTCFT-QOMWVZHYSA-N 601.729 4.613 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCN(c4ccc(F)cc4)CC3)nc12 109951958 HWEGVQMUFFXPCC-QQXSKIMKSA-N 615.712 4.599 10 10 KJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110525106 FKHWRGMJCCDJRO-BWAHOGKJSA-N 549.766 4.762 10 10 KJCE CC(=O)N[C@@H]1[C@H](N=[N+]=[N-])O[C@H](COCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 256011464 XOOBJDMHDWWHLZ-JYJZCUDQSA-N 516.598 4.914 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526514869 HCMWMSHFEVLVCC-AREMUKBSSA-N 519.550 4.985 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865029738 UKUUIZCNHDEHSW-VFUKXHBFSA-N 524.621 4.944 10 10 KJCE CCCc1nn(CCC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(Cc3ccccc3)CC1)=C(N)O2 1865030031 ANQCQDNOSXYLFQ-SANMLTNESA-N 530.669 4.833 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865030890 TYAOGDFTBBRPAX-DEOSSOPVSA-N 520.605 4.531 10 10 KJCE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031560 JPAIDVFBNMAKJC-RUZDIDTESA-N 538.604 4.666 10 10 KJCE O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)OCc1ccccc1 1865996061 KVWZDDTZGCNCLR-AREMUKBSSA-N 504.542 4.938 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867474839 DTNXTLQDQPTVMF-CKOYEXALSA-N 681.834 4.532 10 10 KJCE CC[C@H](CC(=O)N[C@@H](C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C)c1cc(Br)ccc1OC 1868964662 SIQCHPMPCNOMHQ-NFQMXDRXSA-N 560.533 4.840 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2c2nc3ccccc3s2)n1 1869097884 AEMIWMQRRMJKND-XMMPIXPASA-N 530.698 4.952 10 10 KJCE CCN(CC)CCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162028 CIOLZOYEMRBKJN-UHFFFAOYSA-N 553.751 4.770 10 10 KJCE CCN(CC)CCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164996 CCXMBRKEBAUKLM-UHFFFAOYSA-N 544.696 4.583 10 10 KJCE CCN(CC)CCCCN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167744 VUMQJSORHPDRBN-UHFFFAOYSA-N 533.761 4.762 10 10 KJCE O=C(N[C@]1(c2cc(I)ccc2O)C[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21 1952776033 SDRBPLVWTDSYLA-BWKNWUBXSA-N 541.341 4.835 10 10 KJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 2296848723 YLATUQBRCMUVEA-UHFFFAOYSA-N 581.679 4.999 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)C[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314413913 LORVAGDXWZOIPM-ROUUACIJSA-N 534.707 4.895 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314475889 FDMXBQZPVAPXBD-HSZRJFAPSA-N 558.685 4.558 10 10 KJCE 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CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 110522866 FYSIJIQDLGKQNO-BWAHOGKJSA-N 547.750 4.909 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(O[C@@H](C)CC)c(OC)c3)C2=O)c1 1084481957 VAQXYCGTFPTABK-GZQZNAIASA-N 516.978 4.990 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@@H]1C)[C@H]2c1ccc(O)c(O)c1 1864017254 ITJZHAYLBULUGL-UQJUWTFNSA-N 532.641 4.769 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864019350 JGFNBILJJURMMR-HSZRJFAPSA-N 541.048 4.517 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019949 SAQGBAPZPJTRMR-XMMPIXPASA-N 531.012 4.819 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1864023189 VISSJIRRWQGZDQ-MAUKXSAKSA-N 510.557 4.893 10 10 KJCE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865029478 OFMZSPUCDOLBJN-NRFANRHFSA-N 541.446 4.562 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865031103 ZBNPABIYYNSDJK-QHCPKHFHSA-N 523.033 4.656 10 10 KJCE CCCN(CCC)c1cccc(C(=O)N[C@H](CC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1866601088 QXCCJERKLHDLHL-JOCHJYFZSA-N 512.610 4.631 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)c3ccc(-c4cc5ccccc5[nH]4)cc3)C(C)C)CC2)cc1 1868907447 IFLKRKOYIDHTAN-GDLZYMKVSA-N 510.638 4.947 10 10 KJCE CCCCCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871678230 FSANIPQINXFJAU-UHFFFAOYSA-N 516.694 4.575 10 10 KJCE Cc1ccc(OC(C)C)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873421296 QDISFUJXHHURNW-UHFFFAOYSA-N 500.643 4.943 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc4ccccc34)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425604 HSOOCRQOEKESAG-UHFFFAOYSA-N 520.633 4.772 10 10 KJCE CCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cnc[nH]2)C1=O 1873427084 BRTFSPSRDMHTRV-UHFFFAOYSA-N 509.610 4.959 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(OC)cc3)ncnc21 1875213529 PHWGPMPMQZWLIR-UHFFFAOYSA-N 542.684 4.866 10 10 KJCE COc1ccc(OCCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3Cc2ccco2)cc1 1875236623 KNQFXTUVUJEYEQ-UHFFFAOYSA-N 582.661 4.543 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@H](C)C[C@@H](C)C3)nc12 2314414409 YEZGMABWSANBLD-IAGOWNOFSA-N 548.690 4.615 10 10 KJCE CCCCOc1c(Br)cc(C=C2SC(=S)N(CCC(=O)OC)C2=O)cc1OCC 2314769744 UTUTVLLOGMYUTF-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)ccc1OC(=O)c1ccco1 101513103 XEWXMAFEBBCUER-MHWRWJLKSA-N 500.385 4.554 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S 101738257 VOYGJYXTWOVJPT-LYHOESIGSA-N 531.453 4.691 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864006973 BXZIYDRUYFDEFB-VWLOTQADSA-N 531.012 4.689 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@@H]2c1ccc(O)c(O)c1 1864016128 HZYSGCQNIXRNGJ-JOCHJYFZSA-N 516.985 4.646 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865026037 IKFQNZYMLQQVRD-VWLOTQADSA-N 522.621 4.914 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027897 NFUGPQMCZMFXJP-VWLOTQADSA-N 528.996 4.525 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(CC)CCc1ccncc1)[C@H]2c1ccc(O)c(O)c1 1865031177 ASJQQVGLPHAOOP-VWLOTQADSA-N 539.636 4.552 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867787125 BJUCWMGURXVADG-QCENPCRXSA-N 604.727 4.550 10 10 KJCE COc1ccc(N2CCN(c3cc(N(Cc4ccccc4)C(=O)[C@@H]4CCCN4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869267402 UVLVHBUOOSTXGK-LJAQVGFWSA-N 566.681 4.903 10 10 KJCE CCN(CC)CCCN1C(=O)C(NCCc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873166653 VDQVLZNNDQIECU-UHFFFAOYSA-N 528.697 4.747 10 10 KJCE O=C(CN1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O)Nc1ccc2c(c1)OCCO2 2294276896 FPKYHJRRQMYMFX-UHFFFAOYSA-N 540.937 4.744 10 10 KJCE O=C(CCCN1C(=O)C(=C2SC(=S)N(CCCC(=O)Nc3ccccc3)C2=O)SC1=S)Nc1ccccc1 2297299271 LITFKAHHOOWROR-UHFFFAOYSA-N 584.770 4.756 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C(C)C)C3=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12 2297312649 JIYAHHZAXHAOBH-UHFFFAOYSA-N 540.114 4.593 10 10 KJCE COc1cc(C=C2SC(=S)N(CCCC[C@@H](C(=O)O)N3C(=O)C(=Cc4ccc(O)c(OC)c4)SC3=S)C2=O)ccc1O 2297449897 JMSSAZALVKCYRE-KRWDZBQOSA-N 646.790 4.841 10 10 KJCE CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 2313548541 XUWOKSYIWHNPKD-UHFFFAOYSA-N 514.420 4.977 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 207325293 VFXWHCGAGBUAAC-LQOIVRHRSA-N 548.777 4.562 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 1083909626 ZRSVWICCOXRCOZ-GDLZYMKVSA-N 571.699 4.531 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC)c(Br)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083937418 YFYKKMAHXBMFMV-QHCPKHFHSA-N 649.405 4.788 10 10 KJCE Cc1cc(C(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)ccc1N(C)C 1860570181 PCQLTRGUPFYCBX-UHFFFAOYSA-N 504.546 4.736 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012102 RCOIJEPNBARSCP-MUUNZHRXSA-N 538.648 4.711 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864012907 MBKJNXMTJJEZPW-QBFCQJJASA-N 534.632 4.824 10 10 KJCE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(F)cc3)c2O1 1864016657 UVKBXZUVOGMJHD-VWLOTQADSA-N 540.595 4.902 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030545 LUPLAUJAZGUPGB-XMMPIXPASA-N 522.621 4.777 10 10 KJCE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865033965 LVHHOLFISFLAHW-OAQYLSRUSA-N 542.558 4.847 10 10 KJCE O=C(N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccc(-n2cccc2)c1 1866613977 OAZDPFAGSGEKLG-LJAQVGFWSA-N 555.590 4.938 10 10 KJCE CCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867143685 KSZSATWADITTFB-QHCPKHFHSA-N 523.545 4.663 10 10 KJCE CCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868723381 IYNQDKIXQWGDBA-VMPREFPWSA-N 517.645 4.990 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1868863103 DKHNAFYKZBTRSM-MVSFAKPFSA-N 577.697 4.667 10 10 KJCE COc1ccc(N2CCN(C(=O)Cc3nonc3OCc3c(Cl)ccc(Cl)c3Cl)CC2)cc1 1872639089 VHZGPYFNGQNXCG-UHFFFAOYSA-N 511.793 4.509 10 10 KJCE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873165812 WAJQJRZYXFXMAU-UHFFFAOYSA-N 543.664 4.956 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 2296055656 YUISZSDUGZGJDQ-UHFFFAOYSA-N 533.997 4.869 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 2296928543 ZHYZRPXHMPDQDZ-UHFFFAOYSA-N 504.011 4.743 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 2297617268 YIFSBZXVRFEJPD-UHFFFAOYSA-N 511.622 4.657 10 10 KJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(=S)N([C@@H](C(=O)O)c4ccccc4)C3=O)o2)cc1 2314650561 OKNGWYUUERFBSY-LJQANCHMSA-N 500.579 4.852 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)cc1OC 2323679984 VLKQSRMCDNXHMU-GOSISDBHSA-N 511.625 4.857 10 10 KJCE Cc1ccc(S(=O)(=O)Oc2ccc(OS(=O)(=O)c3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 6005522 LDTTXRCXIMXYEV-UHFFFAOYSA-N 548.594 4.614 10 10 KJCE CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc1 39835647 WSKSNPJLIOIBIY-CAPFRKAQSA-N 523.636 4.895 10 10 KJCE CCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S 40938733 ICVWKSFLSRDRRW-MRCUWXFGSA-N 501.029 4.802 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 100886573 ZOLFBFGNENVMQP-YZSQISJMSA-N 585.730 4.866 10 10 KJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526515933 LLLBPRWSHGPMAI-SANMLTNESA-N 519.550 4.985 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015943 GUNFFQZQCQTSKU-SANMLTNESA-N 548.599 4.922 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030412 JIELYTLKFOSFEP-AREMUKBSSA-N 542.611 4.787 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccccc1C 1865657458 SFIDGILWDMTTLN-MHZLTWQESA-N 549.675 4.930 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)/C(C)=C/c3cccc(Cl)c3)CC2)cc1 1868751675 SZRXKRDYQPXSDN-FBRNXRPFSA-N 576.093 4.754 10 10 KJCE CCCCn1c(C(=O)NCc2ccccc2C)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873580878 NHSBSBGBVBFVLL-UHFFFAOYSA-N 512.658 4.805 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(C)cc5)ncnc4n3CC(C)C)CC2)cc1 1875208483 LURFSGVCKICWIW-UHFFFAOYSA-N 512.658 4.979 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)OC(C)C)c4)o3)C2=O)cc1 2313549445 WOBQQXIVCWGUJJ-UHFFFAOYSA-N 508.914 4.840 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313558199 VKHPQKYATYNFJE-UHFFFAOYSA-N 570.327 4.750 10 10 KJCE O=C(CN1C(=O)SC(=Cc2cc(Br)cc(Br)c2O)C1=O)Nc1ccccc1 2314836365 DPYXQFKOPFQKEW-UHFFFAOYSA-N 512.179 4.592 10 10 KJCE C[C@@H](Oc1ccccc1C=C1SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O)C(=O)O 2314931782 QQWORBLKUFHQFJ-QGZVFWFLSA-N 534.615 4.664 10 10 KJCE COc1cc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc(OC)c1OC 2154914 XBRBDPQLQNRWRF-ZONZVBGPSA-N 509.558 4.735 10 10 KJCE biogenic COc1ccc(CCN2C(=O)/C(=C3\C(=O)N(CC(=O)Nc4ccccc4C)c4ccccc43)SC2=S)cc1 2533650 NOFGCCGJHUXKBX-OCEACIFDSA-N 543.670 4.803 10 10 KJCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)C1=O 59815344 UNEBAYPBVUWMAG-LPYMAVHISA-N 555.033 4.929 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC 100225864 YXDPAQAZSMNUPC-OQLLNIDSSA-N 601.260 4.682 10 10 KJCE O=C(CSc1nnc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)s1)Nc1ccc(C(=O)O)cc1 102371594 ZUKJQHPYAKKYCJ-DHDCSXOGSA-N 532.028 4.703 10 10 KJCE Nc1ccc(N2CCN(c3ccc(OC[C@H]4CO[C@](Cn5cncn5)(c5ccc(Cl)cc5Cl)O4)cc3)CC2)cc1 137337693 XTWNAMDDCDZPGP-WNJJXGMVSA-N 581.504 4.841 10 10 KJCE Cc1c(N2C(=O)/C(=C/c3c(Oc4ccccc4F)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 213156499 OJVZFMGRUBZMJP-JWGURIENSA-N 585.642 4.830 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016145 IMXVAFKFTGUHHG-QHCPKHFHSA-N 502.615 4.905 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864018970 FQXYQTLGEFGOGR-HHHXNRCGSA-N 538.648 4.841 10 10 KJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)ccc1OCC(=O)N(CC)CC 1865674884 CLUZIVQSXPHZAX-KGENOOAVSA-N 514.420 4.901 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)cccc21 1866919670 SAFZWQYGFBPKSR-XZWHSSHBSA-N 591.639 4.637 10 10 KJCE COc1cc(C(=O)N[C@H](CCSC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c(Br)c(OC)c1OC 1867465448 QQTFKDWKSDZQLK-DNQXCXABSA-N 651.668 4.736 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccccc2F)c2ccccc2)N2CCCCC2)cc1 1867853471 YJKHFPBJDVIHQH-NSOVKSMOSA-N 502.634 4.706 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@@H]4CO)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867999031 QAFCHFVYHVDNIP-RUZDIDTESA-N 501.675 4.737 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868387268 XDESUJMHCNRUGW-SANMLTNESA-N 543.627 4.894 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868686540 RMCKIUDVUQHDPK-ACHIHNKUSA-N 569.702 4.581 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](CC(C)C)c3ccc(F)cc3)CC2)cc1 1868947014 RHGYNKNOWUQMFY-YIXXDRMTSA-N 529.722 4.941 10 10 KJCE CCN(CC)CCN1C(=O)C(Nc2ccc(OC)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426676 JNWFVDZRRCTHND-UHFFFAOYSA-N 531.613 4.545 10 10 KJCE CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)c(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 2294204920 TZANZGBCGDHSJH-UHFFFAOYSA-N 507.999 4.839 10 10 KJCE 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CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\N1CCN(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)CC1 109882253 GHQWPMOLRWIUBI-REPVBDINSA-N 612.326 4.742 10 10 KJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCc4ccccc4OC)[C@H]3C2)cc1 245343136 GJACEAALZQFBOO-XNMGPUDCSA-N 539.598 4.949 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC 254826035 FGEAHRQBHAZGIF-HKBQPEDESA-N 597.737 4.799 10 10 KJCE CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 1084615362 VEQBUKNRGTWCGH-GDNBJRDFSA-N 522.193 4.894 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 1554268784 JKZJUAULNRHRBT-BQWWFWGVSA-N 656.877 4.594 10 10 KJCE Cc1ccc2nc(N3CCCC[C@H]3C)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 1772721496 VHUKYIOFZWHGDA-MTEVNVADSA-N 534.663 4.512 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864013048 PAOKXAOBZPIUKN-ADSMNUKGSA-N 534.632 4.824 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864019563 MDQHICCXAXGRPK-SANMLTNESA-N 542.611 4.672 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030226 GJFPDCJPBTVASR-NIYFSFCBSA-N 530.669 4.865 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031594 KKSJRDYSNNUFBA-HSZRJFAPSA-N 502.615 4.570 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867431456 WUMMYNUSMRZVPH-JJQXXVEZSA-N 623.798 4.833 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(C)c(C)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867894809 RLHYLZJBQJXOKI-JHOUSYSJSA-N 584.761 4.979 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H](CS(=O)(=O)c3ccccc3)C2)n1 1868481170 LHAVRPMFRPNUFH-NRFANRHFSA-N 552.656 4.994 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)nc(Nc4ccc(Cl)cc4C)[nH]3)CC2)cc1 1871569726 UMNGOCHZZDITNO-UHFFFAOYSA-N 516.049 4.946 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCC3CCC(C(=O)OC(C)C)CC3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873170527 DCEYJDDVEDVEDX-UHFFFAOYSA-N 562.755 4.863 10 10 KJCE Cc1ccc(C(=O)Oc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 2297468152 XOZKLOLELHVESH-UHFFFAOYSA-N 501.955 4.930 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 2313557455 DCLHJWLCPVQAMO-UHFFFAOYSA-N 570.327 4.750 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCC[C@H](C)C3)nc12 2314413843 JAOAPNDOVDKAIG-INIZCTEOSA-N 508.644 4.780 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 2314764885 OLDWMLWOPXPAQA-UHFFFAOYSA-N 592.537 4.560 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 100115350 SWERFRHWCHKRCY-JAIQZWGSSA-N 525.384 4.596 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 103857976 PJMRXYBFOGGQOD-WQRHYEAKSA-N 553.281 4.724 10 10 KJCE 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COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OCC(=O)O 33603451 HWWYSOBASKYNRX-MFOYZWKCSA-N 508.415 4.944 10 10 KJCE CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 100072268 MGMMNNNMKCFBIH-XKZIYDEJSA-N 538.423 4.613 10 10 KJCE CCCC1=NN2C(=N)/C(=C\c3cc([N+](=O)[O-])ccc3OCCOCCOc3ccc(C)cc3)C(=O)N=C2S1 102966240 WKAGPMVOZKRSKE-QFOSJIQNSA-N 537.598 4.797 10 10 KJCE CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccc(N5CCOCC5)cc4)CCC[C@@H]3[C@H]2c2ccc(N3CCOCC3)cc2)n1 138352309 LGWHSOQDLXGCQF-AJIXGPMASA-N 625.730 4.921 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864019766 QJDKTLDAYBNJHX-RUZDIDTESA-N 518.658 4.913 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864022808 YKDFDSLRDBGPLX-XMMPIXPASA-N 534.657 4.701 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026461 OCLWFBRNHWNKQU-FATZIPQQSA-N 526.996 4.539 10 10 KJCE 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LHBZKNZTCBUFJK-UHFFFAOYSA-N 503.455 4.863 10 10 KJCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 33672884 ODEUHOYCJSUCNC-QALXIQJFSA-N 508.644 4.717 10 10 KJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccncc1 33808786 BLEKTOWJIVRRRV-XHPQRKPJSA-N 506.635 4.722 10 10 KJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4cccc(OC)c4)c(OCC)c3)C(=O)N=C2S1 103494387 XFCGYCLTCOZARS-KXYLLZDBSA-N 508.600 4.971 10 10 KJCE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110522996 CABFXAXUDKHXLH-YUMHPJSZSA-N 599.738 4.505 10 10 KJCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@H]3C(=O)N(c4ccc(Cl)c(Cl)c4)C(=O)[C@@H]23)cc1 169616928 JKOQUUPJGAPAQR-YPAWHYETSA-N 506.341 4.997 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 1084620336 IBKVLLPUHXDOQS-MHWRWJLKSA-N 515.703 4.727 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 1860759088 STYVTECXWILTQO-UHFFFAOYSA-N 561.454 4.805 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864009613 CBIBDHXSRRLOTI-VWLOTQADSA-N 528.584 4.695 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1864011683 JXMLEQCNZTVAPC-VWLOTQADSA-N 531.012 4.624 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864018152 DNBNYIJOWLJJDU-HSZRJFAPSA-N 525.049 4.950 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868691696 OLHBXDKNSXMYBU-SVBPBHIXSA-N 511.732 4.720 10 10 KJCE COc1cc(C=C2SC(=S)N(CCC(=O)N3CCC(Cc4ccccc4)CC3)C2=O)cc(OC)c1OC 2297332026 PHZDUAGNBGNFGL-UHFFFAOYSA-N 540.707 4.785 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 2313559733 PJMRXYBFOGGQOD-UHFFFAOYSA-N 553.281 4.724 10 10 KJCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 2314603310 DBINZFGTYTXXJV-GOSISDBHSA-N 585.119 4.816 10 10 KJCE COC(=O)c1c(NC(=O)C=Cc2cnc(N(C)C)nc2)sc(C)c1-c1ccc(Br)cc1 2330057915 GORQBHSMHJIQRA-UHFFFAOYSA-N 501.406 4.781 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 102679159 XVFVLUUJTLKCKF-OCEACIFDSA-N 571.680 4.663 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C/c3cc(OC)c(OCCOc4cccc(C)c4)c(OC)c3)C(=N)N12 104485313 SZPQQRMGJXHPKT-OEEDQDNFSA-N 526.640 4.800 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1cc(OC)ccc1OC 163658360 NRQJRMUOWAAQAX-ZJTZAHLKSA-N 636.568 4.986 10 10 KJCE CSCC[C@]1(C(=O)O)N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]21 247528650 OACOJEOYHHRWGS-HTWTXTHPSA-N 665.680 4.652 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(F)c4)n(Cc4cccc(F)c4)n3)CC2)cc1 1862370011 RCRIYTZIZRTWFD-UHFFFAOYSA-N 518.564 4.856 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012138 SAHJXMIAPUOIGH-DEOSSOPVSA-N 523.033 4.838 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864015977 YAGSPLZCWIEAFK-LJQANCHMSA-N 516.520 4.612 10 10 KJCE Cc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865026187 JJUZNZBUXAEILS-YWTKSJFSSA-N 523.033 4.504 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)N2CCCCC2)cc1 1865902247 OXYZIKRRWSFJPH-MUUNZHRXSA-N 510.638 4.506 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N([C@@H](Cc1ccccc1)C(=O)O)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867626584 HOPUKOGGXDZFIN-AFEGWXKPSA-N 681.834 4.677 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1868870847 MGHLVHFIUFWYIF-HSZRJFAPSA-N 571.541 4.680 10 10 KJCE CC[C@H](C)NC(=O)COc1cn(CCN(CC)CC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870959311 CUQBARNNSWQCCP-QHCPKHFHSA-N 519.690 4.839 10 10 KJCE CC(=O)Nc1cccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)c1 1873916587 NIUUUJNTHRPBEO-LJAQVGFWSA-N 507.594 4.775 10 10 KJCE CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)C1=Cc1cc(Cl)c(O[C@@H](C)C(=O)OC)c(OCC)c1 2295218169 UILRHLJAIOHFTQ-HNNXBMFYSA-N 514.962 4.964 10 10 KJCE O=C(Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2313571137 OBOZVZYKYUAEMG-UHFFFAOYSA-N 516.916 4.739 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 2313683540 BPUKYYIIWZAHCM-UHFFFAOYSA-N 501.539 4.636 10 10 KJCE COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1 35330585 NGGXBPLOHKNPOX-VIHXGXMLSA-N 502.611 4.948 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 100526647 XIDJFLBGGDBTLE-KMBIYUNPSA-N 593.061 4.686 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCCC[C@@H]3C)nc12 100885970 SVUNHUIHWVMQIV-SNAUHIFDSA-N 586.743 4.585 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C\c3c(NC[C@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 101012844 WYICBXAGRGCFAI-GVFUYMABSA-N 542.686 4.858 10 10 KJCE C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101971002 WGQYTKJWKFMJRC-KIKKFWRUSA-N 558.273 4.851 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccc(C(F)(F)F)cc1 103074588 WBPKUURLXBZKOE-VWLOTQADSA-N 572.584 4.528 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 205970552 RNNARXSBXYCHMB-PCLIKHOPSA-N 519.529 4.775 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864016974 BBJUUTAQXZKEBE-RUZDIDTESA-N 514.626 4.856 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031753 NNFGFISRMSPGFA-YWZLYKJASA-N 528.531 4.564 10 10 KJCE COc1c(Cl)ccc(Cl)c1C(=O)N[C@H](C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867745378 BWDPAUZYHQWYBQ-VGSWGCGISA-N 521.489 4.530 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2cccc(C)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867823126 QMYAVEUZVBLYHG-ROJLCIKYSA-N 570.734 4.671 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868672463 AHTPIBYKYHWKPZ-ZWXJPIIXSA-N 566.677 4.632 10 10 KJCE CCCCOCCCN=c1nc(Nc2ccc(CC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871583293 HWFNMMNKAFAILH-UHFFFAOYSA-N 519.694 4.553 10 10 KJCE CCc1ccc(Nc2nc(=NCc3ccccc3C)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871584472 NSHZHQSSVAJSBS-UHFFFAOYSA-N 509.658 4.855 10 10 KJCE Cc1cccc(OCCOc2ccc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2)c1 2293152574 CQWQUALZVLCQNK-UHFFFAOYSA-N 521.367 4.882 10 10 KJCE Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 2294259056 DXPKMIWXNOJVQM-UHFFFAOYSA-N 512.341 4.757 10 10 KJCE COc1ccc(N2CCN(C(=S)NC(=O)C=Cc3ccc(-c4ccc(Cl)cc4)o3)CC2)c([N+](=O)[O-])c1 2313764139 MPLIIHSHDPCASS-UHFFFAOYSA-N 527.002 4.753 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4C[C@H](C)O[C@@H](C)C4)=NC3=O)c2)CC1 2314476416 ODHUZXJVCUOTCV-GOTSBHOMSA-N 663.822 4.583 10 10 KJCE CC[C@@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)cc1OC)C(=O)O 2314931155 CTYHAHYYHMGGPW-GOSISDBHSA-N 528.652 4.781 10 10 KJCE Cc1ccc(-c2nc3sc(N(C)CC(=O)NCc4ccc(N(C)C)cc4)nn3c2NC(C)(C)C)cc1 64704154 YIWNCTGUVCLGGT-UHFFFAOYSA-N 505.692 4.795 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 1084494319 GDACZYLLGAZZPU-NDENLUEZSA-N 513.294 4.973 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(Cc4ccc(F)cc4)n3)CC2)cc1 1862337956 BUIWHKIRWCPIBE-UHFFFAOYSA-N 500.574 4.717 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864011378 SZEZUEQQQCYYCS-SAQVGAHLSA-N 532.641 4.634 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864017393 LDOJERZDQVIUAZ-OAQYLSRUSA-N 529.424 4.906 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864017441 MLSFIZSCXVURHA-QHCPKHFHSA-N 516.985 4.510 10 10 KJCE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC2CC2)=C(N)O3)cc1 1864022942 SHEAGXIBWGXYHJ-HSZRJFAPSA-N 544.995 4.586 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867921691 PDVITHTYHCKVSA-KKLWWLSJSA-N 665.766 4.965 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(C)[C@@H](c3ccc(F)cc3)C2)n1 1868254682 YCIXSIDMGUIFKW-AREMUKBSSA-N 551.622 4.817 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc4nc(O)c(Cc5ccccc5)cc4c3)C(C)C)CC2)cc1 1868928831 PJLLIKINCXYBPB-YTTGMZPUSA-N 566.702 4.572 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccc(F)c4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970352 NVVOIKUSRSPIJG-OVCLIPMQSA-N 512.589 4.702 10 10 KJCE CCOCCOC(=O)COc1cn(Cc2ccco2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871121368 AJIXUJXRJNKTIJ-UHFFFAOYSA-N 517.582 4.804 10 10 KJCE COc1ccc(OCCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873165161 GLNWAZUPIKKMNK-UHFFFAOYSA-N 561.642 4.928 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873424380 DAOPPQAAPUHZDP-UHFFFAOYSA-N 567.734 4.999 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 2588235 RPOACXUIYJQQRZ-MEGCXXLRSA-N 560.122 4.980 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 103858049 KPIKQVQJQKITBW-NDENLUEZSA-N 525.330 4.842 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4ccccc4)Sc4ccccc43)CC2)cc1 105348581 KYAILTCUCPPFLA-QUPMIFSKSA-N 542.705 4.504 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1cccc(F)c1 1084562036 FEFVNDLKNNNBJK-GRSHGNNSSA-N 543.320 4.981 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccc(Br)s4)CC3)cccc21 1860604917 LCPGQZMBPCURSW-UHFFFAOYSA-N 537.435 4.706 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029500 OTNVVMBGJBDBRE-HSZRJFAPSA-N 523.033 4.843 10 10 KJCE COc1ccc(C(=O)N[C@@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867311497 MLMCMLYURRCSFT-FQLXRVMXSA-N 514.670 4.576 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N(CCO)Cc3ccccc3)n2)cc1 1867997780 CHWHKWPZYMGITL-UHFFFAOYSA-N 539.680 4.876 10 10 KJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN(CC)CC)C1=O 1873167804 YHPPZYFGCZQHQL-UHFFFAOYSA-N 521.750 4.618 10 10 KJCE CCN(CC)CCN1C(=O)C(Nc2cc(OC)ccc2OC)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425608 HVPGASIGRPXBEN-UHFFFAOYSA-N 516.642 4.645 10 10 KJCE COc1ccc(OCCOc2ccc(C=C3C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 2296065472 DLRSRLTZGMJFGE-UHFFFAOYSA-N 533.997 4.869 10 10 KJCE CCN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2CC)c2cc(Br)ccc21 2296630449 KEVIGGXPIDLZDT-UHFFFAOYSA-N 550.194 4.691 10 10 KJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 2297347843 UVMDAUWNGHXBFZ-UHFFFAOYSA-N 527.331 4.785 10 10 KJCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1cccc2ccccc12 2297508786 JOYSSSDXFNGINR-UHFFFAOYSA-N 527.646 4.785 10 10 KJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)NCCc2c[nH]c3ccc(OC)cc23)cc1 2313683342 XUBPFTDWTPNMAH-UHFFFAOYSA-N 525.565 4.951 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 2314627481 ADDKWBWOKGXIGU-XMMPIXPASA-N 539.723 4.560 10 10 KJCE CCOc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1OCCOc1ccccc1 100605882 ZFAZUHUHHJSZGS-ATVHPVEESA-N 527.405 4.637 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864010914 QLHCGUVCOBFTPJ-RUZDIDTESA-N 510.594 4.555 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cc(C)ccc3C)[C@@H]2c2ccc(O)c(O)c2)c1 1864011810 LGDXTIKRRGBOJG-MHZLTWQESA-N 524.621 4.587 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012495 AZNNKGUNQGIRRF-VWLOTQADSA-N 545.039 4.960 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1ccc(Cl)cc1)[C@H]2c1ccc(O)c(O)c1 1864017281 JEIQVNCMTRFOKG-QHCPKHFHSA-N 547.011 4.654 10 10 KJCE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865025892 FBKDAUASTNBZJN-HSZRJFAPSA-N 543.451 4.911 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865029656 SCPHISLXISYRCH-DEOSSOPVSA-N 504.631 4.888 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865030406 JENUUOBGCVZCET-AREMUKBSSA-N 539.636 4.763 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@@H]2c1ccc(O)c(O)c1 1865031562 JUERAVHNEXXTPN-AREMUKBSSA-N 536.632 4.674 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(C)CC1)[C@H]2c1ccc(O)c(O)c1 1865031595 KKSJRDYSNNUFBA-QHCPKHFHSA-N 502.615 4.570 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1865032354 ATRPLZDSVYEEHD-JOCHJYFZSA-N 511.022 4.843 10 10 KJCE CCN(CC)c1cc(C)c2[nH]cc(C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)c2c1 1866473115 PUKHNTZEDQGTHK-MHZLTWQESA-N 503.691 4.706 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)N2CCCCC2)cc1 1866551215 SNTPNDLBKXBADN-NDEPHWFRSA-N 501.675 4.541 10 10 KJCE O=C(CCc1nc(O)c2ccccc2n1)N[C@@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1867260560 DGPKCLKRGXNADQ-GDLZYMKVSA-N 556.578 4.540 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867670515 PWFWOYYQXWKKBC-FIRIVFDPSA-N 553.707 4.624 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@H](c3ccccc3)c3ccc(OC)c(Cl)c3)CC2)cc1 1868963250 UWGHZZIHYHCKLN-HFZDXXHNSA-N 536.072 4.733 10 10 KJCE CCCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870776232 WFTBFMXPCARDBM-UHFFFAOYSA-N 505.659 4.745 10 10 KJCE CCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)c1 1873427571 PVRTVKZUABTHOS-UHFFFAOYSA-N 540.664 4.947 10 10 KJCE N=C1C(=Cc2ccc(OCc3ccccc3Cl)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297468191 DHHGSNZFLCVYBP-UHFFFAOYSA-N 508.003 4.551 10 10 KJCE COc1cc(C=C2C(=O)NN(c3ccc(I)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 2313656823 SCMSHMSVBJIHIM-UHFFFAOYSA-N 560.775 4.994 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 2314408605 PHRQRIZMGLTNQV-UHFFFAOYSA-N 587.702 4.570 10 10 KJCE CCOc1c(Br)cc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 2314769759 VAYPMVCORGBNDF-SFHVURJKSA-N 522.442 4.972 10 10 KJCE O=c1cc(-c2ccc(O)c(O)c2-c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)oc2cc(O)cc(O)c12 5822859 ZFNKROZSXXJHKW-UHFFFAOYSA-N 570.462 4.545 10 10 KJCE biogenic COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 15046612 YGBSCUYFFRJPSP-PKSBALPTSA-N 512.531 4.657 10 10 KJCE COc1ccccc1OCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 101494342 CIRRUYYCVIDYEF-PGMHBOJBSA-N 537.366 4.582 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 103850296 YQEVBLITMWBGFG-OCKHKDLRSA-N 538.915 4.852 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 150589806 GMISHANBNGESDN-OOAXWGSJSA-N 631.755 4.621 10 10 KJCE CCN(CC)c1ccc([C@H]2C(c3cccc(C)c3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526140181 PVUZYVMYPFCOFY-MHZLTWQESA-N 533.650 4.723 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(O)c(O)c2)cc(Cl)c1OC 526159911 DBUUSDZYXATNPK-DEOSSOPVSA-N 525.941 4.987 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864017529 OIGQIICUBUKYJC-XMMPIXPASA-N 547.011 4.519 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864019688 OYGRKKKFDLWTOE-AREMUKBSSA-N 524.621 4.782 10 10 KJCE Cc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865026225 KJSIPJNEEWEOEN-MHZLTWQESA-N 542.611 4.922 10 10 KJCE CC(=O)CN1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3ccc(C)cc3)n2)CC1 1868318485 HCGDGUXTXGDXRQ-UHFFFAOYSA-N 531.616 4.682 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3Cl)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166556 RUPQETUFQZNYQB-UHFFFAOYSA-N 503.046 4.711 10 10 KJCE CCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3Cl)ncnc21 1875199942 CYAYHWZPBPRZDI-UHFFFAOYSA-N 505.022 4.688 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCC[C@H]3C)nc12 2314414022 NVHGSGLYTOTPOX-QGZVFWFLSA-N 508.644 4.922 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(Cl)cc1 1860651578 OQYZDKARKQZYJP-PKOBYXMFSA-N 505.036 4.910 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864013729 ZIDSBKFVSIPQGK-SANMLTNESA-N 528.653 4.996 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864014064 MMLDNIWKRVIYHD-DEOSSOPVSA-N 517.630 4.555 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864015922 GPBHZXKSGOOYAJ-RUZDIDTESA-N 524.621 4.671 10 10 KJCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N2C[C@@]4(C)C[C@H]2CC(C)(C)C4)[C@@H]3c2ccc(O)c(O)c2)cc1 1865028419 UMZOUBHUNKAACD-LDAXAJLHSA-N 544.652 4.722 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865029718 UELQKKKZYFLLHC-RUZDIDTESA-N 532.641 4.730 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865030863 SURISLQZWVGZBM-SANMLTNESA-N 530.669 4.865 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865031706 MSGIRTZXTOWWRJ-DEOSSOPVSA-N 508.578 4.655 10 10 KJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1ccc(Cl)cc1Cl 1865175963 LKQSIHVDIFIWMA-QHCPKHFHSA-N 542.467 4.570 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(-c2cc(F)ccc2F)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867103233 LLWFHHOHUJPENQ-SSEXGKCCSA-N 542.542 4.678 10 10 KJCE CC(C)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867427051 NIQMZYSSQXSSTK-ZWXJPIIXSA-N 627.761 4.581 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)Cc3nc(-c4ccc(C(C)C)cc4)oc3C)CC2)cc1 1868991721 GBZQSYZYOXHODD-UHFFFAOYSA-N 518.658 4.568 10 10 KJCE COc1ccc(N2CCN(c3nc(Nc4ccc(N5CCC(C)CC5)cc4)ncc3[N+](=O)[O-])CC2)cc1 1871307724 IDJBBSNFYGEQNY-UHFFFAOYSA-N 503.607 4.700 10 10 KJCE CCCCCCN=c1nc(N2CCN(c3ccc(OC)cc3)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653429 HNRAOUMCZVHZGI-UHFFFAOYSA-N 514.049 4.579 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873423040 BXWUEYASWIVXTP-UHFFFAOYSA-N 549.583 4.986 10 10 KJCE CCCCn1c(C(=O)N(C)Cc2ccccc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873554795 YEJVMSVDARCYRU-UHFFFAOYSA-N 512.658 4.839 10 10 KJCE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C)cc1 2293273332 JSCBYTKGQVMUNL-UHFFFAOYSA-N 527.405 4.555 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccccc1OC 2293559156 AGZQBJHFVVDZHG-UHFFFAOYSA-N 581.419 4.981 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 2296056468 PVUAHBGBRSADOZ-UHFFFAOYSA-N 513.579 4.524 10 10 KJCE Cc1cc(C=C2SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 2297561871 PSGALFLLXWMMIS-UHFFFAOYSA-N 505.508 4.620 10 10 KJCE Cc1ccc2c(c1)C(=C1SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C1=O)C(=O)N2 2314397529 UZDKBIZNIUGOIR-UHFFFAOYSA-N 528.826 4.589 10 10 KJCE Cc1ccc2nc(N3CCCCCC3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314399631 AHPCPEMNZWADFR-UHFFFAOYSA-N 586.743 4.587 10 10 KJCE CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)CC1 2314648134 QAYBADAFPOKZJN-NRFANRHFSA-N 525.696 4.703 10 10 KJCE CCOC(=O)CCCN1C(=O)C(=C2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 2314759926 HGAFGUXDTKZEDO-UHFFFAOYSA-N 501.029 4.802 10 10 KJCE COc1cc(OC)c(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1Br 59198146 KQANQRGGUPNBKH-QPEQYQDCSA-N 510.138 4.736 10 10 KJCE Cc1cc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)C(=O)N=C2O)ccc1Br 59859932 XVLBNQYSSMSBIX-SFQUDFHCSA-N 513.348 4.527 10 10 KJCE O=C1/C(=C\c2c(N3CCCc4ccccc43)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 100886093 ZZHQGVNJRZKKRY-BUVRLJJBSA-N 554.653 4.909 10 10 KJCE CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 103398534 HJGJHVQHDCNUET-JCMHNJIXSA-N 509.360 4.833 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccccc3C(=O)OC)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526481435 ZGHAEOQVZNTBHJ-RUZDIDTESA-N 505.523 4.739 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084650378 SQBSENIJBZNOEM-YVLHZVERSA-N 586.395 4.915 10 10 KJCE O=C(COc1ccccc1Cl)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860558366 GGPVIBOVMJVCLG-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccn1)=C(N)O2 1864014458 VMANFPGTHQSMED-HHHXNRCGSA-N 547.615 4.795 10 10 KJCE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865025729 CMBNBILEWJQICD-QFIPXVFZSA-N 529.424 4.665 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865031750 NNFGFISRMSPGFA-FOIQADDNSA-N 528.531 4.564 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865038091 UHHJBINNHXQTGP-WXTAPIANSA-N 524.621 4.952 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc1 1868645376 OQEPOXSBWXBDEF-LJAQVGFWSA-N 574.628 4.556 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC(C)C)[nH]c(=Nc4ccc(Cl)c(Cl)c4)[nH]3)CC2)cc1 1871487666 UKFBBHDHPGZLRI-UHFFFAOYSA-N 516.477 4.559 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(Nc3cccc(N(C)C)c3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873416939 JTSVTINWPJHFAN-UHFFFAOYSA-N 555.679 4.973 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1OCCOc1ccccc1 2293345675 AFQFBXGVEIYGAX-UHFFFAOYSA-N 506.942 4.781 10 10 KJCE O=C1C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2296545990 FFRWXEDQRDWBJQ-NRFANRHFSA-N 549.077 4.895 10 10 KJCE CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)cc1OC 2297454358 XDJWZHSHCSCKOB-UHFFFAOYSA-N 518.541 4.864 10 10 KJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 20900494 JVTHAQDYSPWVPE-UHFFFAOYSA-N 500.511 4.564 10 10 KJCE 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O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]3C[C@H]3c3ccccc3)cccc21 1867051367 ZUQUNSKBAKQLTG-NSVAZKTRSA-N 530.580 4.637 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869259388 GCOPVFCJWYMFAL-LJAQVGFWSA-N 573.072 4.949 10 10 KJCE COCCOC(=O)COc1cn(Cc2ccccc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870903913 DCKSXDUCUCKTKP-UHFFFAOYSA-N 513.594 4.821 10 10 KJCE CCCOc1ccc(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCNC(C)=O)C1=O 1873423681 HKZSUBGMSLHBFY-UHFFFAOYSA-N 514.626 4.519 10 10 KJCE COc1ccccc1OCCCOc1ccc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc1OC 2296633574 YSOJWBQAFNKMLH-UHFFFAOYSA-N 543.605 4.614 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 2296696345 DORXQFVKKLRDBD-UHFFFAOYSA-N 559.761 4.859 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 2296715355 RABMGZANKJBSTK-ROUUACIJSA-N 504.681 4.887 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 2297455651 KIBFUFAIRDNYSA-RTBURBONSA-N 504.681 4.887 10 10 KJCE COc1ccc(N2CCN(c3cc(C(=O)NCCCN4CCCC[C@@H]4C)c4ccccc4n3)CC2)cc1 23440117 YPJPQMHRFURCQY-QHCPKHFHSA-N 501.675 4.564 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(NC4CCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 33804023 AFHROTQUPPMYFJ-KGENOOAVSA-N 506.653 4.767 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 150591567 UPYUELVSAWXUTK-DIBXZPPDSA-N 667.792 4.672 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 256043964 STBLUYBFZNXTJU-UPLZDIHJSA-N 558.747 4.519 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(OC)cc2)sc(C)c1-c1ccc(Br)cc1 1860757912 BHWVXPGTOREGRB-UHFFFAOYSA-N 531.428 4.926 10 10 KJCE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864015980 HAAHVWUPPKDZSA-XMMPIXPASA-N 528.584 4.616 10 10 KJCE 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4.750 10 10 KJCE CCCOC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873982006 XUVUZXDWYGPRFS-UHFFFAOYSA-N 506.562 4.780 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)COc4cccc(C)c4C)c3)CC2)cc1 1874721989 RQBMQODMZCDEJH-UHFFFAOYSA-N 501.627 4.725 10 10 KJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)cc(I)c1OCCOCCOc1ccccc1C 100323310 QGQKORZQQAXSNY-XSFVSMFZSA-N 585.485 4.914 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 150427951 GOSNRXJZUVSNJJ-KZVLXBEFSA-N 649.585 4.591 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864007490 NZSPZMZJRRRRTC-HSZRJFAPSA-N 509.006 4.779 10 10 KJCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)C1 1865031511 IPLUNPMJFZTYRE-DJJJIMSYSA-N 548.949 4.909 10 10 KJCE C[C@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2c(I)c(I)c(I)c(I)c2C1=O 1865890687 HRFIVNCRWWNUND-BIBXISHDSA-N 935.080 4.795 10 10 KJCE 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KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 100230149 QSXOGGHMQGIERF-BKUYFWCQSA-N 599.459 4.899 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100860413 BYXJURXBGSCYPP-CVKSISIWSA-N 615.712 4.599 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1ccc(Br)cc1 111848787 XFHKLDXVNWXOTL-WQRHYEAKSA-N 507.431 4.696 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)ccc3C(=O)OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526601011 HJEGHIIKYGZKQM-AREMUKBSSA-N 530.577 4.782 10 10 KJCE CCCC[C@@H](NC(=O)Cc1cc(Cl)ccc1SC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898452 ZAVYLIXIMODWDR-HSZRJFAPSA-N 504.096 4.637 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864017887 XRQNGZQXCZXKPA-QHCPKHFHSA-N 547.011 4.502 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864020429 YVEJWUNLKWXPAE-PZGSVQSZSA-N 516.642 4.603 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029025 DFEIBIQLDPTHDE-WAIKUNEKSA-N 523.033 4.843 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1 1867512129 NHDXFUIDMRBNRP-ZWXJPIIXSA-N 623.798 4.832 10 10 KJCE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)CC1 1867960293 PKSZJTHJXKDHJX-UHFFFAOYSA-N 515.658 4.567 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)[C@H](C)C3CCCC3)CC2)cc1 1868891787 WGPQUQWQIWXIQA-AMGIVPHBSA-N 509.716 4.588 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869028571 UJZRADVIEKHRCK-MHZLTWQESA-N 568.487 4.524 10 10 KJCE CC[C@@H](C)NC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870962937 IMVMEZCAXZNHTG-RLWLMLJZSA-N 504.631 4.677 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873168352 SARVBHRHCOYJTD-UHFFFAOYSA-N 545.599 4.769 10 10 KJCE Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)c2C)c1C 2296639716 PAIHOOMLOZNULM-UHFFFAOYSA-N 502.644 4.733 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Br)c1OC 2313548986 KTGLYZODGDFIKZ-UHFFFAOYSA-N 538.192 4.512 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(Cc5ccccc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314415071 WKEYJRPDENWXTC-UHFFFAOYSA-N 597.766 4.735 10 10 KJCE COc1ccc(C2=NN(Cc3c(F)cccc3Cl)C(=O)C2=Cc2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 2332140998 AYMPUVPADIRXIF-UHFFFAOYSA-N 523.904 4.997 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 102471818 YUISZSDUGZGJDQ-VRAKWYDISA-N 533.997 4.869 10 10 KJCE O=C(O)CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OCC1c2ccccc2-c2ccccc21 757419425 XRLAZNZJGGADAR-NDEPHWFRSA-N 566.610 4.661 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(Cl)c2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864012244 VLCANYXNFMFPAZ-RUZDIDTESA-N 531.012 4.624 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864019505 KPQAPZCZRUTCEI-SANMLTNESA-N 524.621 4.598 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030151 DNGCZBZVWUXIQD-SANMLTNESA-N 542.611 4.787 10 10 KJCE CC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867707006 LYLBLPHHHVCZRY-NSOVKSMOSA-N 508.707 4.639 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867855434 ILVHYBDQLWIYBE-VMPREFPWSA-N 516.661 4.576 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)c(Cl)c4)n(C(C)(C)C)n3)CC2)cc1 1869970322 IRGVYPXWVWCZOX-UHFFFAOYSA-N 503.434 4.927 10 10 KJCE CCn1cc(OCCCCOc2cccc(C)c2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870315737 RCHSEERLRGBDJT-UHFFFAOYSA-N 505.659 4.745 10 10 KJCE COc1cccc(COc2cn(CCOCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871054333 GYPHEDLKMJNXKW-UHFFFAOYSA-N 515.610 4.801 10 10 KJCE CCCOC(=O)COc1cn(CCCn2ccnc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871236155 TZYLZEWVFIYGDK-UHFFFAOYSA-N 515.614 4.823 10 10 KJCE 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CN1CCN(Cc2cccc(-c3nc(-c4ccc(CS(=O)(=O)Cc5ccc(N)cc5)cc4)cs3)c2)CC1 1857849875 MYNKIZVGPZOWAC-UHFFFAOYSA-N 532.735 4.922 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007264 JCOQBBGNSUBABP-NRFANRHFSA-N 517.413 4.900 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864010385 LWKIZKRXIQJRKC-SANMLTNESA-N 540.620 4.564 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864017440 MLSFIZSCXVURHA-HSZRJFAPSA-N 516.985 4.510 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NC2CCCCC2)=C(N)O3)cc1 1864017600 PTLBQPTUJCRWGG-DEOSSOPVSA-N 532.641 4.769 10 10 KJCE CC[C@@](C)(NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867217278 ZOCIVUATEUQDTA-MGBGTMOVSA-N 547.611 4.767 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(C)n(-c4ccccc4)n3)CC2)cc1 1868759872 AJGZHXPBRWZVAL-PMERELPUSA-N 569.731 4.570 10 10 KJCE 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KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3csc(-c4ccccc4)n3)CC2)cc1 1868905348 DNZKWDIMWZYRFC-LJAQVGFWSA-N 554.716 4.828 10 10 KJCE CCCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869002837 KTEJPONVUGSZII-MHZLTWQESA-N 566.706 4.920 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)n1 1869230063 BAWDWXMWJDAOSW-VWLOTQADSA-N 501.679 4.708 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc(OC)cc3)C2=O)cc1 1873165029 DTEMCTYOGVSCMO-UHFFFAOYSA-N 549.627 4.959 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(Cc3ccccc3)C2=O)cc1 1873168454 WCRJAVRMLJEEEN-UHFFFAOYSA-N 505.574 4.893 10 10 KJCE CC(=O)O[C@H]1[C@H](O[C@@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)[C@H]2CO[C@H](O2)[C@@H]1N=[N+]=[N-] 2080705840 NPMNRMJFANMGJJ-FJAILJPKSA-N 659.692 4.747 10 10 KJCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 2297470024 GGWALAQWCFONRX-UHFFFAOYSA-N 527.025 4.908 10 10 KJCE CCN1C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509109 XILFLALOYABPSI-UHFFFAOYSA-N 609.770 4.749 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 33492744 YQEJLENPICFXCE-FNSOMLPHSA-N 500.690 4.703 10 10 KJCE Cc1ccc(OCCOCCOc2ccc(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)cc2)cc1 102469946 LQZIOFNNYKKBCO-IFZGSHJBSA-N 518.517 4.651 10 10 KJCE CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 102997062 QNXITQOEXBTZIK-VQYZLWMVSA-N 539.704 4.716 10 10 KJCE Cc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C/c2cc(Br)c(Br)o2)C1=O 1084046337 BEYLBJGITWWJCX-YHYXMXQVSA-N 532.970 4.542 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864007551 PFXZBYIHCRZOAT-OAQYLSRUSA-N 543.432 4.971 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864013787 GDDAKAWNKNYCFD-MZNJEOGPSA-N 526.593 4.568 10 10 KJCE 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CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1cccc(OC)c1 2293438528 AIAYRTMFCKYDDZ-UHFFFAOYSA-N 536.968 4.872 10 10 KJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)SC1=Cc1ccccc1OCc1ccccc1 2295956213 DWKOMUHVFKNMIM-UHFFFAOYSA-N 500.580 4.966 10 10 KJCE CCCN1C(=O)C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S 2297462574 LDEHRXMFPDKDDL-UHFFFAOYSA-N 502.415 4.861 10 10 KJCE O=C(O)CCN1C(=O)C(=C2C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)SC1=S 2326945081 CLEOPIAOTUQVRM-UHFFFAOYSA-N 500.601 4.869 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)S2)CC1 101013301 MEESHHINKGGRHD-HFTWOUSFSA-N 633.796 4.959 10 10 KJCE Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OC(C)C)C2=O)c(C)c1 164066211 GIJWOGSBPBYLHV-CXUHLZMHSA-N 630.220 4.966 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254441034 WISRQIKCUOEEGN-AREMUKBSSA-N 548.064 4.778 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865033809 ILKDZKSYRSKFMN-VWLOTQADSA-N 540.620 4.831 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(Cc3ccc(F)cc3)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 1865677709 YQCVFDZSMBMXEL-MOSHPQCFSA-N 521.511 4.816 10 10 KJCE Cc1cc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1F 1867168287 RMSJQRHRYPKPLY-MHZLTWQESA-N 588.595 4.781 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447555 FWTXGHWMYFELDC-AJQTZOPKSA-N 667.807 4.910 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc3[C@@H]2C(C)C)n1 1869107864 RBKWTDYKNAZZGQ-YTTGMZPUSA-N 561.727 4.778 10 10 KJCE Cc1ccc(-c2ccc(C=C3C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1Cl 2297578017 VLGVDEQKTSMAEQ-UHFFFAOYSA-N 509.893 4.904 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c(Oc3ccccc3Cl)nc12 2314506866 GIVSCEDZKZWSHZ-OAHLLOKOSA-N 514.028 4.829 10 10 KJCE CCCCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990441 SKVGPLPBFIALGN-OSVNEOKWSA-N 516.733 4.693 10 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COc1cc(OC)cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867383929 ZLRKHUUGYBSVHB-FIRIVFDPSA-N 576.713 4.593 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867809122 LAVULVCRRUAQSH-RRPNLBNLSA-N 568.640 4.560 10 10 KJCE CCCC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867815561 DXFMKWLPYXQQFV-XNMGPUDCSA-N 568.675 4.509 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCCC2)cc1 1867912324 UUAOSCWBJDTXIG-URLMMPGGSA-N 578.113 4.999 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCN(c4ccccn4)CC3)n2)cc1 1867996489 IILYICLNONNSFH-UHFFFAOYSA-N 551.695 4.599 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(Cl)c5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869360549 VISBDAHYXLTUFX-UHFFFAOYSA-N 570.141 4.892 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCc4ccccc4)[nH]c(=Nc4ccccc4C(C)C)[nH]3)CC2)cc1 1871494639 WPQAPGRITHOFFY-UHFFFAOYSA-N 509.658 4.530 10 10 KJCE CCc1ccc(NC(=O)CSc2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1 1872824721 JDTYZNHSWAMKKK-UHFFFAOYSA-N 529.666 4.827 10 10 KJCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc(F)cc3)C2=O)CC1 1873162271 NRLBFPWFACQUJM-UHFFFAOYSA-N 544.627 4.724 10 10 KJCE CCCCCNC(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1 1873584391 QAOIKQLLGQTYCM-UHFFFAOYSA-N 512.658 4.735 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 2294095058 GXTLEHNDPSWLTK-UHFFFAOYSA-N 507.388 4.589 10 10 KJCE O=C1C(=Cc2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2296848714 XRAXPXCHTIQRLO-UHFFFAOYSA-N 528.634 4.798 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(C)SC3=NC2=O)cc(Cl)c1OCCOc1ccc(OC)cc1 2297310423 UWALRSXGCTUSJG-UHFFFAOYSA-N 514.991 4.844 10 10 KJCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3F)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297499504 JAIHEUSNXSJECU-UHFFFAOYSA-N 505.918 4.761 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 2314408568 GMISHANBNGESDN-UHFFFAOYSA-N 631.755 4.621 10 10 KJCE CC1CCC(Nc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 2314414413 YGXQCJUAQHYQLY-UHFFFAOYSA-N 534.663 4.815 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)[C@H]2CCS(=O)(=O)C2)o1 2314828471 BDTAFDWFZYBCFP-UWVAXJGDSA-N 564.776 4.662 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)C(=Cc4cccc(OCC(=O)O)c4)SC3=S)cc2)cc1 2314930526 FLUUNMKWEIQNHB-UHFFFAOYSA-N 534.615 4.584 10 10 KJCE Cc1ccc2nc(N3CCCCCC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33473042 HBYZRBQSFKIGEE-STZFKDTASA-N 508.644 4.924 10 10 KJCE CCN(CC)c1ccc(CN2C[C@@H](NCc3ccc(C(F)(F)F)cc3)C[C@H]2C(=O)NCc2cccnc2)cc1 101073960 IBNXQEAKJQNQFS-XCZPVHLTSA-N 539.646 4.996 10 10 KJCE CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378752 UEAUJJGQRREWFW-WGOQTCKBSA-N 548.064 4.881 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccccc1Cl 102480870 CDQJEACUYUUZDU-FGECGFKFSA-N 533.997 4.869 10 10 KJCE Cc1cccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c3ccccc32)c1 102679640 JERSUPMUUFVDHW-IMVLJIQESA-N 595.706 4.554 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 164383865 XXKHWWMHKQTRQB-OCKHKDLRSA-N 630.366 4.803 10 10 KJCE COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=O)NC2=S)c(OC)c1 1084011906 MGSXSYNRCSHIIS-ZDLGFXPLSA-N 513.978 4.735 10 10 KJCE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)cc1 1084112309 YILNMXRBQAWKCW-XKZIYDEJSA-N 508.372 4.922 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)cc(OC)c1OC 1084556648 MNRFLRKJFSEERT-KSEXSDGBSA-N 516.594 4.847 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N=Nc4ccccc4)cc3O)c(=O)n2[C@@H]1c1ccccc1 1084595986 GJHPLMYBMFKRRX-AREMUKBSSA-N 524.602 4.919 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865029580 QRSGMVBESSTCDD-JOCHJYFZSA-N 509.006 4.597 10 10 KJCE 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CCN(CC)CCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875212179 XBQNDKRQDRSMLK-UHFFFAOYSA-N 535.737 4.592 10 10 KJCE CC(=O)N[C@@H](Oc1ccc(C=C2SC(=S)N(Cc3ccco3)C2=O)cc1)C(Cl)(Cl)Cl 2296663376 HBIJDJVDVONRBN-KRWDZBQOSA-N 505.832 4.892 10 10 KJCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1Br 2314764546 GDKQZMLAMSIYBW-UHFFFAOYSA-N 528.247 4.766 10 10 KJCE O=C(O)CCCN1C(=O)C(=Cc2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842155 CNXHFAJESDYCMQ-UHFFFAOYSA-N 508.980 4.563 10 10 KJCE COc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCN(c4ccc(OC)cc4)CC3)o2)cc1 39846014 LJVLBIIOZJRDTP-UHFFFAOYSA-N 523.586 4.657 10 10 KJCE COc1ccc(OC)c([C@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2)c1 103074596 FDXMMHNGXDGRSV-HSZRJFAPSA-N 528.531 4.511 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526391930 IVCPVEGPEPBLAY-HSZRJFAPSA-N 525.355 4.885 10 10 KJCE CCc1sc(NC(=O)C(=O)Nc2nc(C)cs2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860766438 ZETQOGKGPNDELP-UHFFFAOYSA-N 508.419 4.869 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 1862148336 QZTOYSRMBKKPFL-UFCYUWOPSA-N 509.716 4.593 10 10 KJCE CCCCOc1ccc(C(=O)N[C@](C)(CC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1OCC 1862251114 KTCAOADQBKHUBG-GDLZYMKVSA-N 511.663 4.520 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(OC)ccc4OC)n(Cc4ccccc4)n3)CC2)cc1 1862351678 BFMZQOMFFCRZRK-UHFFFAOYSA-N 512.610 4.587 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1OC(C)(C)C)[C@@H]2c1ccc(O)c(O)c1 1864016119 HVYGRHLAYIRJLQ-XMMPIXPASA-N 540.620 4.687 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(F)cc1)[C@H]2c1ccc(O)c(O)c1 1864016243 KHDGAJIWZUUKIE-VWLOTQADSA-N 542.611 4.810 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864018173 DVYUVRUWDBKBAX-VWLOTQADSA-N 534.632 4.968 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864019689 OYGRKKKFDLWTOE-SANMLTNESA-N 524.621 4.782 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865030092 CDLFBWLCBQBWHI-HHHXNRCGSA-N 538.648 4.957 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1 1865877084 UCTIKSNBRGXHRN-LJAQVGFWSA-N 524.665 4.548 10 10 KJCE CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866811389 NVJIRVVCXRAJJJ-SANMLTNESA-N 574.699 4.847 10 10 KJCE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@@H](CCSC)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867505530 GJTYSUIETSPMKC-HEVIKAOCSA-N 685.891 4.795 10 10 KJCE Cc1nc2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2nc1C 1867685672 KXDQIEIXKILSAY-LQJZCPKCSA-N 578.761 4.997 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5OC)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867993382 QPCYSVDBEJYLIA-UHFFFAOYSA-N 566.706 4.823 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(CN5CCOCC5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869232341 HDYSRZWUTSDCGI-UHFFFAOYSA-N 563.146 4.681 10 10 KJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(CCOCCO)cc1OCc1cccc(F)c1 1871066184 YSCXMDIBRBKXRS-UHFFFAOYSA-N 503.574 4.931 10 10 KJCE O=C(O)CC[C@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842191 FFSASBFLQDTJEB-MRXNPFEDSA-N 613.895 4.639 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccccc1 20235846 UHPQYCVVKOSWCD-ZWCAKHMGSA-N 512.360 4.756 10 10 KJCE Cc1c(C#N)c(NCCCOCCOc2ccccc2)nc(NCCO)c1/N=N/c1ccc([N+](=O)[O-])cc1C#N 100531725 BIDDYYRWQMXLEP-JEIPZWNWSA-N 544.572 4.759 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 228970922 AWPSCIWHXVHFHB-FOUCXGLHSA-N 528.659 4.802 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027078 FSMVTJQAZFBADS-DMZKTXOQSA-N 529.424 4.852 10 10 KJCE COc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)N(Cc2ccccc2)C(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1865028453 VFSJNMPNGOLFGR-MHZLTWQESA-N 540.620 4.732 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccccc3)c2O1 1865030788 RBHIYIUGQKQHLT-DEOSSOPVSA-N 508.578 4.658 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865035334 QWOVNAJRMSABQQ-HSZRJFAPSA-N 525.049 4.902 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)c3ccc(Br)cc3)CC2)cc1 1868832678 BEORGLSCSVUWHL-JIPXPUAJSA-N 550.497 4.638 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(C)c4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969117 FMHJGDFGLHNDGW-UHFFFAOYSA-N 503.006 4.817 10 10 KJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1OC 1873166360 NBXRGXQMMWVOJS-UHFFFAOYSA-N 545.680 4.839 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(NC(=O)C(C)C)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425763 GHYKABBSSBACLC-UHFFFAOYSA-N 536.636 4.846 10 10 KJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1 1892158158 ZRMCJMGUFLVAHF-OFVILXPXSA-N 510.059 4.737 10 10 KJCE Cc1cc(N2C(=O)NC(=O)C(=Cc3cccn3-c3ccc(Br)cc3)C2=O)ccc1Br 2294093701 GZNFKPSHOMQRFN-UHFFFAOYSA-N 529.188 4.977 10 10 KJCE Cc1ccc(NC(=O)Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)cc1 2313560520 WIHVPCQPBNTDDE-UHFFFAOYSA-N 512.566 4.559 10 10 KJCE COc1ccc(N2CCN(c3cc(NCCCC(=O)O)c4c5c(onc35)-c3ccccc3C4=O)CC2)cc1 9780588 VPNYQKLWOYQWQD-UHFFFAOYSA-N 512.566 4.651 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 100851263 QEOLBAXBUJGRET-PTGBLXJZSA-N 534.707 4.836 10 10 KJCE CCCC1=NN2C(=N)/C(=C\c3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OCC)c3)C(=O)N=C2S1 101427455 HUBKEGIBQLIDQI-BSMJIXEWSA-N 535.626 4.921 10 10 KJCE Cc1ccc2nc(NCCCOC(C)C)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1 102989094 SIJKYZPKAMOCCD-XSFVSMFZSA-N 500.690 4.764 10 10 KJCE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864015677 CTMJBEPOARNCPQ-XMMPIXPASA-N 528.584 4.616 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864019060 VBJSUKQCQRGDHA-DEOSSOPVSA-N 549.002 4.709 10 10 KJCE CCOc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867531361 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COc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OC)c1OC 1867334056 SZUMKKPDWQLHPY-WDYNHAJCSA-N 606.739 4.602 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2294133733 FHQPWPYBSJFTRL-UHFFFAOYSA-N 538.856 4.624 10 10 KJCE COc1ccc(N2N=C(C)C(=Cc3c(O)n(-c4ccccc4)c(=S)n(-c4ccccc4)c3=O)C2=O)cc1 2297533568 QNXQIKDUPZXLLJ-UHFFFAOYSA-N 510.575 4.878 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCC(C)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 2314400948 RYRYHBRSVQUFMQ-UHFFFAOYSA-N 564.733 4.700 10 10 KJCE COC(=O)[C@H](c1ccccc1)N1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S 2314769349 PBQBYTOALFLJMB-QFIPXVFZSA-N 500.601 4.719 10 10 KJCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)OC(C)C)c2)o1 6172755 GSSNPVPOAMHNTI-DEDYPNTBSA-N 527.986 4.619 10 10 KJCE Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cc(Cl)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c(Cl)c1 101630628 IEYBXRAJXZAHGL-UHFFFAOYSA-N 573.432 4.608 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Br)c1OC 103814921 NQAVRXZDGOSGIW-RIYZIHGNSA-N 552.219 4.902 10 10 KJCE COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C(C)(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 103898874 AMBJKTATRAJQRP-CCDWMCETSA-N 509.558 4.688 10 10 KJCE CCCCn1c(N2CCC[C@@H](C(=O)OCC)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 162470142 QAOJAXGZTGTMBL-FELXSTKCSA-N 674.849 4.812 10 10 KJCE C[C@H](CCn1cnnc1)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 585661247 NRHGNRMTNWAHAG-FQGQBNSFSA-N 772.698 4.849 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084485427 UVPNDKWJWJBDKN-MUUNZHRXSA-N 666.585 4.876 10 10 KJCE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864018807 REYIXHNINIIOJG-OAQYLSRUSA-N 531.440 4.679 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865029368 LPWMMMMITISNEN-DEOSSOPVSA-N 502.615 4.722 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC(C)CC2)[C@H]3c2ccc(O)c(O)c2)cc1 1865031604 KNCNNWSLJKAFIC-FQEVSTJZSA-N 528.531 4.564 10 10 KJCE CC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C(C)(C)C)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867189193 JWZCXVNVXKNXSS-OAQYLSRUSA-N 549.631 4.827 10 10 KJCE CCC[C@H](NC(=O)c1cccc(Br)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867412502 WWFZWESQCKHXHD-LOSJGSFVSA-N 529.523 4.757 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869169886 OVYDDMHHQRNUJY-PMERELPUSA-N 560.702 4.733 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873167775 XBQOBSUULQVKHJ-UHFFFAOYSA-N 562.755 4.863 10 10 KJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cccs2)C1=O 1873167780 XHAUZDDWOOGJNI-UHFFFAOYSA-N 504.700 4.800 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873170797 QXFBIYRWCZZJRA-UHFFFAOYSA-N 551.735 4.522 10 10 KJCE CC1(C)C=C(CSc2ccccc2C(=O)O)c2cc(F)cc3c2N1C(=O)/C3=C1\SC(=S)NC1=O 2087930449 LNLGYCALTUHMMQ-ZPHPHTNESA-N 512.609 4.697 10 10 KJCE COC(=O)COc1c(Cl)cc(C=C2SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1Br 2294010641 BVLZRPQUQWRCJG-UHFFFAOYSA-N 541.763 4.799 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 2313558658 GZCZNTUIPPZSDL-UHFFFAOYSA-N 500.511 4.568 10 10 KJCE COc1cc(C=C2C(=O)N(c3ccccc3Cl)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105249 LYNFTPHDQMNOKN-UHFFFAOYSA-N 518.013 4.894 10 10 KJCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 40066486 DXCIPZGOOQAMDU-XKZIYDEJSA-N 508.669 4.813 10 10 KJCE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)NC3=O)c2)C1 101013905 RKJSIVNTMOMNLK-GNASCUAASA-N 538.720 4.695 10 10 KJCE O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909631 MFUKVSIGULMUFB-YMLINEMLSA-N 605.779 4.606 10 10 KJCE COC(=O)[C@@H]1C[C@H](NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)CN1Cc1ccc(OC)cc1O 299788599 YHTXLFOHSSQGQC-RDPSFJRHSA-N 534.012 4.748 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1 526630057 FIHKIBQKHNTYRY-RUZDIDTESA-N 507.539 4.970 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864011734 KQSSEOUOUMYDCM-PXDATVDWSA-N 522.621 4.960 10 10 KJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864013965 JYLCNXUAJZTJDA-XMMPIXPASA-N 534.657 4.845 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3Cl)c2O1 1865033485 AQWMCAGGWHMDBY-LJQANCHMSA-N 548.949 4.722 10 10 KJCE CCc1sc(NC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865867131 QTYFOOVCTBPACN-RPLLJCPNSA-N 504.402 4.988 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867446631 GQCYWSBSFAVGEY-JSOSNVBQSA-N 653.780 4.519 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873168353 SBFKNXDBOYHMHL-UHFFFAOYSA-N 540.664 4.569 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(Oc4ccccc4OC)nc4ccccn4c3=O)SC2=S)cc1 2314509727 XXJUBYUKKOTPFE-UHFFFAOYSA-N 545.642 4.948 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 33335128 RMWGAKXCKKDMLJ-WCWDXBQESA-N 521.664 4.975 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1OCc1ccc(I)cc1 101694309 WETJDBAURWSKBT-JAIQZWGSSA-N 572.330 4.684 10 10 KJCE CC(=O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 150349604 GZEZATDDANETAV-YYBDPVNQSA-N 719.630 4.756 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526630059 FIHKIBQKHNTYRY-VWLOTQADSA-N 507.539 4.970 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 1084358243 XGJRVKSGQVYAGL-BOPFTXTBSA-N 603.369 4.749 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007960 YCPMWJMLCHPNKI-SOKVYYICSA-N 540.620 4.735 10 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COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 2314399331 PADINNHOZPLKIP-UHFFFAOYSA-N 685.828 4.515 10 10 KJCE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCCC)c(OC)c2)SC1=S 2314759348 CAXSIHWIYRBGKF-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(Cl)cc1 3666499 IAJCLZFOJNDCHO-LMSRTUJASA-N 577.062 4.767 10 10 KJCE CCCCCN1C(=O)/C(=C\c2c(NC[C@@H](O)c3ccccc3)nc3c(C)cccn3c2=O)SC1=S 34378417 MSQAKMZCRMHUDC-LNKKFFRNSA-N 508.669 4.540 10 10 KJCE Cc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C(O)=NC2=S)c1 59087205 LISSFNQATFWNFM-UQQQWYQISA-N 500.624 4.911 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N(C)C(=O)N(c4ccccc4)C3=O)c2C)sc(C)c1C 59138794 YMBPYYMYHNHZBS-STZFKDTASA-N 505.596 4.958 10 10 KJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cc(OC)c(OC)c(OC)c5)c(C)c34)CC2)cc1 59523168 RHMGSZKGSWJIFP-UHFFFAOYSA-N 549.653 4.613 10 10 KJCE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(C)C3=O)c2)CC1 103602912 LMSBUKFBCUWNLK-XQNSMLJCSA-N 538.720 4.791 10 10 KJCE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 208272280 UDYXOHWDBXCVGM-WSDLNYQXSA-N 504.637 4.963 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCc4ccccc4)c(OCC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252672754 QMVGEBXYPREQRE-HKBQPEDESA-N 597.737 4.842 10 10 KJCE CCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(O)c(O)c2)cc1 526257685 RPHSTWXJJDIQNN-DEOSSOPVSA-N 505.523 4.739 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 1772721502 VYSWBSKXHJUGMB-QLTNSANVSA-N 504.681 4.949 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2Cl)[C@H]3c2ccc(O)c(O)c2)cc1 1864009005 XFZAENYLHZTWDX-VWLOTQADSA-N 531.012 4.624 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015155 KIBVEHBKQVTTFR-SFHVURJKSA-N 536.938 4.626 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864019643 ODUAXXXVTXVMIU-XMMPIXPASA-N 504.631 4.605 10 10 KJCE COc1ccc([C@H](C(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C(C)C)cc1OC 1866985901 WTZLROYNSYSJJJ-RUZDIDTESA-N 528.605 4.752 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867877471 BAYKQZYYJGOTSM-IGYGKHONSA-N 636.149 4.924 10 10 KJCE CCCCNC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870952855 PKGITSLCVYYTJQ-AREMUKBSSA-N 504.631 4.678 10 10 KJCE CCOc1ccc(CCNC(=O)c2ccc(CN3CCN(c4ccc(OC)cc4)CC3)cc2)cc1OCC 1872884258 NQGIVHIQLYJIQW-UHFFFAOYSA-N 517.670 4.787 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(OCC(C)C)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421370 UIDAXVPLJNMJBI-UHFFFAOYSA-N 500.643 4.883 10 10 KJCE Cc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)c(C)n1-c1ccccc1Cl 2297469673 JYJLJTYPKCMYBU-UHFFFAOYSA-N 509.035 4.769 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314764959 QGUYTQNYEMKUSX-UHFFFAOYSA-N 560.097 4.676 10 10 KJCE Cc1ccc(CNC(=O)C[C@H](COCc2ccccc2)NC(=O)OC(C)(C)C)c(O)c1Br 2327585854 XUMPJFYDUSITLJ-LJQANCHMSA-N 507.425 4.580 10 10 KJCE O=C1C[C@H](c2ccccc2)Oc2c(Cc3cccc(O)c3O)c(O)c(Cc3cccc(O)c3O)c(O)c21 31167277 WNGIBTXFKBGNIR-HSZRJFAPSA-N 500.503 4.808 10 10 KJCE biogenic C[C@H](O)[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 95618828 ISJVOEOJQLKSJU-IBALUREDSA-N 721.646 4.548 10 10 KJCE in-man NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3=O)o2)cc1 103815274 APVSEBWFUFXJPM-VULFUBBASA-N 571.655 4.728 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Cl)c(C(=O)OC)c4)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1083917642 XKKYUSFXVDLJRL-MHZLTWQESA-N 606.100 4.564 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019782 QVVTZEUFSLBLMS-HHHXNRCGSA-N 538.648 4.575 10 10 KJCE CSCC[C@@H](NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867216434 LXEVITVRKNOQQN-AREMUKBSSA-N 579.678 4.720 10 10 KJCE Cn1nc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1-c1ccco1 1867241787 ZCBFYLLGDZDBRJ-XMMPIXPASA-N 562.557 4.574 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867736142 KYRMSHKLIJHHID-WDYNHAJCSA-N 554.801 4.982 10 10 KJCE C[C@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C[C@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 2314476890 XOTWISXSRYQEPN-TYBLODHISA-N 624.810 4.717 10 10 KJCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3/SC(=S)N(CCCCCCCCCCC(=O)O)C3=O)c(=O)n2c1 100850578 GAMUNUAVCGCLPT-PTGBLXJZSA-N 613.806 4.501 10 10 KJCE O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283015 YAQBKDXEHNEBKQ-DKNZLLBESA-N 573.158 4.738 10 10 KJCE CC[C@@H](C)N1C(=O)/C(=C\c2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S 102835106 KTKGJOCCIPRTRP-GFXBCDTMSA-N 540.114 4.674 10 10 KJCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 143249043 VSMHHDGKCQIZAC-MRUKODCESA-N 588.667 4.519 10 10 KJCE CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 205935299 BQMVCMLHJWMEPY-RCCKNPSSSA-N 522.612 4.811 10 10 KJCE COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccc(C(C)(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)cc1 253560177 AMBJKTATRAJQRP-ISJGIBHGSA-N 509.558 4.688 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1OC 1858588218 VKDLYRMPMLWVHU-RONKMWSCSA-N 502.570 4.809 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccc3OCC(C)C)c3ccccc3)CC2)cc1 1862056032 QZCKMDFFYLIZTA-NDEPHWFRSA-N 501.627 4.550 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864014882 FLXQHVNHUAJBQP-RUZDIDTESA-N 518.573 4.934 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCc3ccccc3C1)[C@@H]2c1ccc(O)c(O)c1 1865031490 IFQFELZSPCMXLL-RUZDIDTESA-N 522.605 4.651 10 10 KJCE COc1cc(/C=C/C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(Br)c1OC 1865912608 UMUZZEZEQLNXCI-NWMLYGLHSA-N 516.480 4.889 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(F)c(F)c2F)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867813101 IQLSPLUYBVNNQT-URLMMPGGSA-N 610.677 4.780 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868850835 DUSSWMJOTCPMFL-WDYNHAJCSA-N 517.645 4.650 10 10 KJCE CCC[C@@H](NC(=O)Cc1nc(-c2cccc(Br)c2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869005179 XJXNKVKKCAVJKM-XMMPIXPASA-N 569.500 4.597 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970971 VUDSULFSRYTHTN-HXUWFJFHSA-N 517.033 4.998 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296358486 POBVPUCUWNMQBN-UHFFFAOYSA-N 533.723 4.721 10 10 KJCE N=C1C(=Cc2ccc(OC(=O)c3ccccc3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297467954 CXQHQIQCZLNFKB-UHFFFAOYSA-N 532.379 4.731 10 10 KJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 2313560867 JORDGHDTJVGEAB-UHFFFAOYSA-N 538.379 4.768 10 10 KJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 2314766762 BWUHYEFETFQTCW-SANMLTNESA-N 568.717 4.982 10 10 KJCE CCOc1ccc(/C=C/C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC 20108726 BMNIDZCRWUVUAH-YRNVUSSQSA-N 524.625 4.719 10 10 KJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 33329865 XVCDPVFMQVYUEL-KGENOOAVSA-N 502.621 4.652 10 10 KJCE COc1ccc(-n2nc(C)c(C=C3C(=O)N(c4ccccc4)C(=S)N(c4ccccc4)C3=O)c2O)cc1 101123279 ZTSRESQPOFLQIW-UHFFFAOYSA-N 510.575 4.643 10 10 KJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1 101971101 UKXQWMZUCATTIN-CYUIRQCWSA-N 519.442 4.854 10 10 KJCE Oc1cccc(Br)c1CNc1cc(I)cc(I)c1 706872193 MXFGUPFFNFJHNH-UHFFFAOYSA-N 529.941 4.976 10 10 KJCE CCc1cccc(OCC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccn2)c1 1860512440 LSPHVLJAJFDINY-UHFFFAOYSA-N 505.530 4.689 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)c3ccccc3)CC2)cc1 1862216852 QMAGUSBTWNKTMT-IADCTJSHSA-N 515.654 4.792 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864010832 PHYNDNQBNAUUPD-DEOSSOPVSA-N 531.012 4.900 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cc(C)ccc1C)=C(N)O2 1864018341 IYMFZZBYWACZLV-SANMLTNESA-N 542.611 4.672 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864019204 HVQKOZYEIDWJFM-XMMPIXPASA-N 531.012 4.569 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865034927 HTIZSRABRXVXOK-WNSKOXEYSA-N 541.023 4.793 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867780788 ULGCJICRZJYRTR-LDNVYYCDSA-N 670.811 4.871 10 10 KJCE COc1ccc(CCOc2cn(CCC(C)C)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870606798 CRFUSIAYEOPYLC-UHFFFAOYSA-N 519.686 4.855 10 10 KJCE Cc1cccc(NC(=O)COc2cn(CCCO)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871174632 IJTMDAPFSHRMFP-UHFFFAOYSA-N 512.610 4.912 10 10 KJCE COc1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2296558700 LMYYLYKUJNWUPA-UHFFFAOYSA-N 513.525 4.925 10 10 KJCE O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 2313555947 FXNBKESSYZBHPZ-UHFFFAOYSA-N 556.314 4.876 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828844 NPCCHNFZUYVCPF-XKCSPQBFSA-N 572.774 4.909 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccccc4)n(-c4ccccc4Cl)n3)CC2)cc1 2331399494 RBKZDMMABSBYBH-UHFFFAOYSA-N 515.017 4.908 10 10 KJCE O=C1N=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 27515460 PFQXKCPZFWHVNG-PXLXIMEGSA-N 505.512 4.556 10 10 KJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2cccc(OC)c2)C[C@@H]1c1ccc(N(C)C)cc1 72413220 MNCJDOWEODBPDS-AREMUKBSSA-N 501.583 4.729 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101739523 PTVKVNCROXXLPK-INZJWMLVSA-N 568.717 4.982 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1OCC(=O)N1CCCCC1 101744015 SLPLOMAAMPIGKU-PXLXIMEGSA-N 560.097 4.676 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccccc1 103862966 LPVNVNLQYSNQAC-MZXOZGJISA-N 537.685 4.782 10 10 KJCE Cc1c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)sc2ncn(Cc3ccccc3)c(=O)c12 169865097 DWPUMDUZNFGYCY-UHFFFAOYSA-N 505.555 4.842 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(I)cc1 1084048921 MLBAYRRGHBEZFM-NDENLUEZSA-N 572.330 4.684 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1864015885 FQHSEFRKXAMDQI-XDHUDOTRSA-N 528.584 4.758 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864020035 UTLLLYQKFLYMTA-RTGAMMJTSA-N 530.669 4.911 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(OC)cc1)=C(N)O2 1864020459 ZKAGMTJXGUVTLS-HFJWLAOPSA-N 540.620 4.735 10 10 KJCE COc1ccc([C@@H](C(=O)N[C@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C2CCCC2)cc1 1867004095 MIPFSSDTNNTZCL-DWXRJYCRSA-N 510.590 4.888 10 10 KJCE Cc1oc(-c2cccc(Br)c2)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867193092 MIYNRXUBGVFHRI-HNNXBMFYSA-N 572.415 4.874 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1 1867512126 NHDXFUIDMRBNRP-ACHIHNKUSA-N 623.798 4.832 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4cccs4)n(-c4ccc(Cl)c(Cl)c4)[nH]3)CC2)cc1 1869969134 GFQWTADXVQZUSN-UHFFFAOYSA-N 529.453 4.645 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)CCCOc4ccc(C)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970742 WQKNRZFKGGQPGX-UHFFFAOYSA-N 526.641 4.709 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(C)cc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970776 PTVQNTWBEVAINK-UHFFFAOYSA-N 517.033 4.746 10 10 KJCE CCOc1ccc(OCC(=O)Nc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874727182 KFKGITHQYNLEPB-UHFFFAOYSA-N 517.626 4.506 10 10 KJCE 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4.928 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012706 HENPXILEMOTSOJ-DEOSSOPVSA-N 520.605 4.578 10 10 KJCE CCCc1nn(CC)c2c1[C@@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865085793 NBMHMTJYKSEIFN-XMMPIXPASA-N 536.076 4.561 10 10 KJCE Cc1cc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)ccc1[N+](=O)[O-] 1867878074 XUQYBYHGNGDOHA-URLMMPGGSA-N 543.668 4.784 10 10 KJCE CCN1C(=O)C(=Cc2nc3ccc(I)cc3c(=O)n2Cc2ccccc2)c2ccccc21 2295987729 ZXMXABURTXPDGY-UHFFFAOYSA-N 533.369 4.957 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 2296849761 OIUDVZXVYMCMAT-UHFFFAOYSA-N 554.697 4.710 10 10 KJCE O=C1C(=Cc2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314413813 ILNNWJWKQNTZOT-UHFFFAOYSA-N 571.703 4.557 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c(C)c1 47133179 TUJIMBKOGJPOMG-PDGQHHTCSA-N 515.016 4.937 10 10 KJCE CCOc1cc(C=O)ccc1OCC(=O)N1N=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccc(N(C)C)cc1 72413319 HMAOLLKJDYFIMX-VWLOTQADSA-N 516.554 4.629 10 10 KJCE CCN1C(=O)/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378673 NUKSAMSMFZKEOD-WPWMEQJKSA-N 545.636 4.757 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(N3CCN(c4ccccc4)CC3)nc12 102591294 UFYVUGYEBMSXHX-PTGBLXJZSA-N 533.723 4.577 10 10 KJCE COc1ccc(OC)c([C@@H]2CC(c3cccn3C)=NN2C(=O)CN(C)C(=O)c2ccc(C(F)(F)F)cc2)c1 103074593 FDXMMHNGXDGRSV-QHCPKHFHSA-N 528.531 4.511 10 10 KJCE CC(=O)N[C@H]1[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1N=[N+]=[N-] 256011465 XOOBJDMHDWWHLZ-MYIRVZICSA-N 516.598 4.914 10 10 KJCE CCN(CC)c1ccc([C@H]2C(c3ccc(F)cc3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526139956 OESUCYPSAYZGIW-SANMLTNESA-N 537.613 4.554 10 10 KJCE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c2=O)=N1 1084182492 UIQYAMSVJKAXCE-SSEXGKCCSA-N 630.723 4.911 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccccc4OC)n(Cc4cccc(F)c4)n3)CC2)cc1 1862338229 QCTQLCDJPPLPRF-UHFFFAOYSA-N 500.574 4.717 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864010608 OXDZRPJCAVYMKD-HHHXNRCGSA-N 536.563 4.895 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029042 DUJDDPVOOUEVDV-KBMIEXCESA-N 516.642 4.699 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(Cl)cc3)c2O1 1865034314 TUVJDKYDSWCTRO-IBGZPJMESA-N 548.949 4.722 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](CO)NC(=O)[C@H](c3ccc(Cl)cc3)C3CCCC3)cccc21 1867008562 XBPAWDCEVCLUPM-RPBOFIJWSA-N 531.008 4.505 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867688468 LXLAYRMNIYZBPW-IZEXYCQBSA-N 530.717 4.555 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867879025 DMJGPRGAMYVVDQ-ILBGXUMGSA-N 530.069 4.556 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3nc(C)n(C)n3)CC2)n1 1868387037 PBYSLMUAFLLBPX-UHFFFAOYSA-N 521.625 4.769 10 10 KJCE CC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868959515 WLEKOJKUFYGADH-LBNVMWSVSA-N 521.608 4.739 10 10 KJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2c[nH]c3ccccc23)C1=O 1873170308 VADAIXZILMFMJT-UHFFFAOYSA-N 510.638 4.914 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCCCN5CCCC5)ncnc4n3Cc3ccccc3)CC2)cc1 1875219388 ZLMYAFAVIQDHGV-UHFFFAOYSA-N 567.738 4.739 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 2293453465 PGGKFEAYJLUJPF-UHFFFAOYSA-N 552.337 4.611 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 2296711307 LLMPRKCXBTXIOT-UHFFFAOYSA-N 533.606 4.591 10 10 KJCE CCN1C(=O)C(=Cc2cn(Cc3cccc(F)c3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509024 LOBPNFQGBLCXSD-UHFFFAOYSA-N 545.636 4.757 10 10 KJCE COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccccc4)C[C@H]3c3ccc(N(C)C)cc3)=NC2=O)cc1 54201766 RCKSEZBJFPIIJM-UIOOFZCWSA-N 527.650 4.939 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 102679162 HKGKBBDCZCRCSP-OCOZRVBESA-N 557.653 4.620 10 10 KJCE CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)c(OC)c3)C2=O)cc1 1084032783 FTYBURHOHDLMMY-KGENOOAVSA-N 506.942 4.993 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864014739 BDSHJJRCTUIAFC-SANMLTNESA-N 538.648 4.979 10 10 KJCE CSCC[C@@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866661991 MJALTIQHGCCODN-XMMPIXPASA-N 571.630 4.984 10 10 KJCE CCCC[C@@H](NC(=O)CCNc1ccccc1OC)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866889755 YFCXDMVIDQQOQQ-XMMPIXPASA-N 513.594 4.586 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1 1867419687 ARARMLCEHYTABM-PQQNNWGCSA-N 687.841 4.981 10 10 KJCE CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867747284 LKFWQTNGQYORRI-KYJUHHDHSA-N 632.271 4.823 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867771267 VHIJYJRFFNWCDI-RSXGOPAZSA-N 544.096 4.946 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867829636 IDOBXZZKZSQFCC-WDYNHAJCSA-N 534.651 4.715 10 10 KJCE CC[C@@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867909820 QFRMNRUHXHUYBW-RPLLCQBOSA-N 530.069 4.556 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1869018904 SGBXHPQSXTUTQA-NSJVFKKDSA-N 577.697 4.863 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccs1 2297074572 KOKVMJOEUZKMKX-UHFFFAOYSA-N 523.983 4.692 10 10 KJCE COCCN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3Cl)nc3c(C)cccn3c2=O)SC1=S 2314508863 RFPNXMJTVGOLIC-UHFFFAOYSA-N 522.435 4.950 10 10 KJCE O=C(CN1C(=O)C(=Cc2ccccc2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 2314578532 SUIOFIPPQVVFOH-UHFFFAOYSA-N 502.643 4.809 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nonc3-c3ccc(OC)cc3C)C2=O)cc1 2314829304 XFPLCJCETVKQFL-UHFFFAOYSA-N 524.624 4.682 10 10 KJCE Cc1nc(N2CCOCC2)c2c(C)c(C(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)sc2n1 10013121 RLNJUJPZZUDJQY-UHFFFAOYSA-N 505.644 4.646 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4cc(Cl)cc(Cl)c4)c3)CC2)cc1 98049764 UZAQYPFJCRLBSW-UHFFFAOYSA-N 538.428 4.904 10 10 KJCE Cc1c(N2C(=O)/C(=C\c3c(N4CCCc5ccccc54)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100885929 OJJNHNQZEDSBBZ-NCELDCMTSA-N 606.733 4.982 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)[C@H](C)[C@H]3Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)CC2)cc1 102768466 ZBVWKKRXAXTKRP-WVXBCFDCSA-N 576.738 4.806 10 10 KJCE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 110523374 WKGAODVZLHCJGQ-IWIPYMOSSA-N 563.680 4.508 10 10 KJCE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(Nc2nc3ccccc3s2)C1=O)Nc1nccs1 110571158 FLDDBIQICLQCAS-LICLKQGHSA-N 570.659 4.907 10 10 KJCE COc1cc(NC(=O)c2cc(Br)cc(Br)c2I)c(N2CCOCC2)cc1OC 163396903 HJQNNRFFZNMLHU-UHFFFAOYSA-N 626.083 4.922 10 10 KJCE O=C(CCCCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 210748901 UGTKKEKUNNOBAT-XMHGGMMESA-N 500.558 4.903 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1OCc1ccc(Br)cc1 1084092815 LJVKTXIIIYQYPN-AQTBWJFISA-N 511.372 4.999 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C/c3cc(Cl)c(OC(C)C)c(OCC)c3)C2=O)c1 1084636200 MCPCBFQAGXGOFV-WQRHYEAKSA-N 516.978 4.990 10 10 KJCE O=C(Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2)cc1)c1cc(O)c(O)c(C(=O)O)c1 1554647201 IXNQPYYNGNBHPV-NHCUHLMSSA-N 534.521 4.670 10 10 KJCE CC1=NN(c2ccc(C)cc2)C(=O)C1=CNCCCCCCNC=C1C(=O)N(c2ccc(C)cc2)N=C1C 1857624716 OPXOZCFBEPZSDM-UHFFFAOYSA-N 512.658 4.956 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)Cc4ccc(Br)s4)CC3)ccc21 1860605118 WRKLGESDSDGDKX-UHFFFAOYSA-N 537.435 4.706 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 1861926412 VRRAFAJACLLUOE-RUZDIDTESA-N 512.437 4.692 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867922656 VCJNWXKHVFVBQV-NOCHOARKSA-N 663.775 4.532 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCCC[C@@H]4CCO)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867981313 JNAHUOBBOMHUPY-XMMPIXPASA-N 508.066 4.874 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 1868254461 PXJZJJSTMOVCIE-VWLOTQADSA-N 553.663 4.602 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868680583 MGOOWZKRNYFUGQ-NSOVKSMOSA-N 523.743 4.782 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)[C@@H](C)Cc3ccc(F)cc3)CC2)cc1 1868766281 YFNKFHCOKCBUNQ-MUAVYFROSA-N 549.712 4.780 10 10 KJCE CCCCNC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870953994 VHYMPHVPLZWLFX-UHFFFAOYSA-N 506.647 4.662 10 10 KJCE CCCCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871613685 QWEKSEFOCUWSDN-UHFFFAOYSA-N 505.667 4.763 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873168917 PPWMOIGNQVYEFV-UHFFFAOYSA-N 538.696 4.615 10 10 KJCE CCOc1c(I)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 2313548865 HPPQMWUNNRTQJJ-UHFFFAOYSA-N 599.219 4.744 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Br)c1OCC 2313560810 HMQPZLIVQZXZKD-UHFFFAOYSA-N 538.192 4.675 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccccc1 3670879 GRPZVFHUOKACQP-SJJVXOANSA-N 576.516 4.968 10 10 KJCE Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1cccc(I)c1 96569952 YDJQAAWSURFTQQ-NHDPSOOVSA-N 515.326 4.931 10 10 KJCE COc1ccc(NC(=O)Oc2ccc(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 96835888 CTTYHKQGCBQVGV-PKIWBCANSA-N 500.598 4.695 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1 100886296 SZTVPHNQYQHBDH-HAVVHWLPSA-N 528.659 4.759 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1 103615545 DWQRBQDZFVDNDY-HHGACTJFSA-N 531.638 4.686 10 10 KJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 1084048220 TVYJXPMVEYAYJQ-NDENLUEZSA-N 537.391 4.558 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)C[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 1772721349 LORVAGDXWZOIPM-SOCDCLKXSA-N 534.707 4.895 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cc(C)ccc2C)[C@H]3c2ccc(O)c(O)c2)cc1 1864008673 PKZGXOSDJPWLIP-SANMLTNESA-N 510.594 4.528 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1865027204 WANKQEWNPVHKKW-VWLOTQADSA-N 504.631 4.611 10 10 KJCE Cc1oc(-c2ccccc2Cl)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866661110 NHRKNSWJHCWDCS-HNNXBMFYSA-N 527.964 4.765 10 10 KJCE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867174678 LKMAUBYCNVKYPV-QHCPKHFHSA-N 547.615 4.797 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@@H](c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868680585 MGOOWZKRNYFUGQ-VSGBNLITSA-N 523.743 4.782 10 10 KJCE Cc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(C[C@H]2CCCO2)C1=O 1873418830 BZESIWIGWZEIJO-HSZRJFAPSA-N 500.555 4.682 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c([N+](=O)[O-])c1 1873420746 UNIHPTPMOLIRNJ-UHFFFAOYSA-N 502.571 4.928 10 10 KJCE COC(=O)c1c(C(C)(C)C)nn([C@@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080052230 KKBNXXTWFIFKHC-KRWDZBQOSA-N 500.377 4.922 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3cc4cc(C)ccc4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 40562690 XGCDMRLTCQDNJI-IWIPYMOSSA-N 516.692 4.955 10 10 KJCE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 100886179 YGXQCJUAQHYQLY-LPYMAVHISA-N 534.663 4.815 10 10 KJCE CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C\c1cc(I)ccc1O 101549773 RAQQGCPLXNCOHB-AQTBWJFISA-N 504.324 4.760 10 10 KJCE Cc1ccccc1NC(=O)CSc1nnc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)s1 102371692 BQNRNGNJOWEKET-MSUUIHNZSA-N 587.506 4.745 10 10 KJCE CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)n2c(s/c(=C/c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c2=O)=N1 103828089 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CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@H]2c2ccc(O)c(O)c2)cc1 1864021446 BYSGUEFAHWWMIY-CRICUBBOSA-N 540.620 4.641 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1 1865032027 UDRIUWDOUFVGII-QHCPKHFHSA-N 528.996 4.921 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609413 GRUKOWRVCVUXSZ-RBJSKKJNSA-N 515.098 4.657 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCc3ccc([N+](=O)[O-])cc32)n1 1868254325 LPPZKGYJEOPILC-UHFFFAOYSA-N 521.533 4.787 10 10 KJCE COCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(Cl)cc3)n2)C[C@@H]1C 1869255861 IZYAGZFQFATQAQ-GOTSBHOMSA-N 551.135 4.678 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccccc3OC)C2=O)cc1 1873164982 BSSRLELBMYRSJH-UHFFFAOYSA-N 549.627 4.959 10 10 KJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1OC 1873166738 XNZMYHBLDBZUAK-UHFFFAOYSA-N 536.632 4.619 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)cc(I)c1OCCOCCOc1ccccc1C 2297306650 QGQKORZQQAXSNY-UHFFFAOYSA-N 585.485 4.914 10 10 KJCE COc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1NC=C1C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 2297534386 RWNYMHAXMMNPEC-UHFFFAOYSA-N 556.600 4.536 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NC4CCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314414075 OYDLWBXMAMHQIK-UHFFFAOYSA-N 506.653 4.767 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC(=S)N1[C@H]1CCS(=O)(=O)C1 2314476738 URKMNGFUQFXBQU-LBEMBMLNSA-N 539.748 4.728 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)C(=Cc4ccc(O[C@@H](C)C(=O)O)cc4)SC3=S)cc2)cc1 2314930029 WLOQMCCWAMLXNM-SFHVURJKSA-N 548.642 4.972 10 10 KJCE COc1cc(NC(=O)Nc2ccc(N3CCCN(Cc4ccc(N(C)C)cc4)CC3)nc2)cc(OC)c1 34682130 QZGXGYZWSNZDMZ-UHFFFAOYSA-N 504.635 4.521 10 10 KJCE COc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc4ccccc34)[C@@H]2c2ccc(O)c(O)c2)cc1 1864009447 HNDKHCOJMSMUPE-NDEPHWFRSA-N 548.599 4.765 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864013867 HUMGOMCTOBQSEZ-QFIPXVFZSA-N 544.574 4.933 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864017292 JHICTYAHEBIPGS-RSDPBLMXSA-N 523.033 4.889 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033545 CACSQPDEMSUXRW-XMMPIXPASA-N 526.593 4.522 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3ccccc3Cl)CC2)n1 1867975903 RLTLDKNARAZAGU-UHFFFAOYSA-N 507.082 4.744 10 10 KJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873166354 MUWQJRARFNRGQY-UHFFFAOYSA-N 549.627 4.944 10 10 KJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc3c(c2)OCO3)C1=O 1873167459 IKBQRJNWLVBUGD-UHFFFAOYSA-N 542.680 4.815 10 10 KJCE Cc1ccc(CN(C)C(=O)CNC(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1Br 1905172948 FKFURNVLRMHLFF-UHFFFAOYSA-N 509.400 4.960 10 10 KJCE Cc1cccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)c1 2040512429 APAPBAQUBXOZMV-UHFFFAOYSA-N 513.644 4.794 10 10 KJCE O=C1C(=Cc2ccc(OS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)SC(=S)N1c1ccccc1 2053498988 WQBSUZQMLRZXLY-UHFFFAOYSA-N 511.602 4.631 10 10 KJCE COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)o1 2313548987 KUCMVJLAZDBSDN-UHFFFAOYSA-N 526.299 4.601 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 34792812 YIYLEARUNQDCIC-HKWRFOASSA-N 507.524 4.567 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@@H](C)C[C@@H](C)C3)SC2=S)cc1 110572079 FLCUIPKQGQVCDB-CYLBCFLHSA-N 536.723 4.500 10 10 KJCE CCOc1ccc(N2C(=O)C(O)=C(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526447939 MCIZZOFDURLQQF-SANMLTNESA-N 507.539 4.970 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008457 KQJQQMKEPABLKW-XMMPIXPASA-N 516.985 4.565 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865034277 SMKJNEQWIASCCE-SFHVURJKSA-N 536.938 4.578 10 10 KJCE CC[C@](C)(NC(=O)c1c(C)cc(C)n(-c2ccccc2)c1=O)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867217279 ZOCIVUATEUQDTA-XIFFEERXSA-N 547.611 4.767 10 10 KJCE CC[C@@](C)(NC(=O)c1ccccc1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867381436 WAPCTTMZNAAUAY-SHQCIBLASA-N 529.523 4.757 10 10 KJCE CCC[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1869002399 GBUOTLNITNDMPP-SANMLTNESA-N 552.679 4.530 10 10 KJCE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1869275258 OTHIHVWYSIBMFK-DNQXCXABSA-N 548.707 4.553 10 10 KJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OC)cc2)C1=O 1873167818 YYOCMYBODISVBP-UHFFFAOYSA-N 556.707 4.872 10 10 KJCE CCOCCCN1C(=O)C(Nc2cccc(NC(C)=O)c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422511 BAAKXSYUQXSPRU-UHFFFAOYSA-N 500.599 4.671 10 10 KJCE CCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCn2ccnc2)C1=O 1873423450 MMTYKDQPODSBGO-UHFFFAOYSA-N 509.610 4.972 10 10 KJCE O=C1NN(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 2293763574 LAJGHIFJDGJPAX-UHFFFAOYSA-N 560.535 4.684 10 10 KJCE CCOc1cc(N(CC)CC)ccc1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 2313548104 LSZDCOKMHJPUST-UHFFFAOYSA-N 514.420 4.977 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(Br)c4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 103751787 UAFFDXHLNPAWRM-OCEWKHMESA-N 592.515 4.887 10 10 KJCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110524005 ZMMVKBJEASVGPX-QRVIBDJDSA-N 536.679 4.559 10 10 KJCE CCCN(CCC)c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110553036 WXUYTOMDSZCGKM-QJOMJCCJSA-N 588.759 4.833 10 10 KJCE CCCOc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCCOC)cc3)[C@H]2c2ccc(O)c(O)c2)c1 526560846 FCOWXOJCRBPDKG-SANMLTNESA-N 519.550 4.747 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(I)c1 1084506092 UNXDFDSPAGNJHO-SXGWCWSVSA-N 602.381 4.569 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864012619 FHUSWSOCPOGAIM-QHCPKHFHSA-N 534.613 4.507 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864019377 JQOGSSPJWJAQIK-XMMPIXPASA-N 549.002 4.692 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864020158 WPFVRKXNJBQJKV-RUZDIDTESA-N 514.626 4.606 10 10 KJCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N(Cc2ccccc2)C(C)C)=C(N)O3)cc1 1865033896 JXYLBXOSYWWYPA-RUZDIDTESA-N 540.620 4.639 10 10 KJCE O=C(C[C@H]1CC(=O)c2ccccc21)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867235484 OQYZEKQENVMRPS-PIIWDFAUSA-N 558.590 4.594 10 10 KJCE CCOc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537012 MXQMWTHCDPFECE-CONSDPRKSA-N 558.723 4.541 10 10 KJCE CCCCCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870605569 JSMSOLUALVSMDG-UHFFFAOYSA-N 519.686 4.999 10 10 KJCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2OC)c1 2293420627 UGIVKBNAEAWLRC-UHFFFAOYSA-N 558.616 4.860 10 10 KJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 27515600 LWMBPTYEFOIHOI-PXLXIMEGSA-N 505.512 4.556 10 10 KJCE Cc1c(Cl)cccc1-c1ccc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)o1 34799465 ZCJNWTHPNUOBFY-GZTJUZNOSA-N 509.893 4.904 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 210739663 VZUNPGFLTBPWLD-XSFVSMFZSA-N 504.605 4.949 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864007837 WBFKQOULFJQMHE-GIPWTMENSA-N 503.386 4.508 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864008563 MYOWEHKIDJXGQE-QHCPKHFHSA-N 537.403 4.910 10 10 KJCE NC1=C(C(=O)N2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1865034497 XWBOEMUWVNMLNE-HXUWFJFHSA-N 546.521 4.598 10 10 KJCE O=C(Cc1cc(-c2ccccc2)on1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866914645 ZJLXBZVFOSZMKW-NDEPHWFRSA-N 571.589 4.731 10 10 KJCE CC[C@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867464292 PPICDQXOAUOLMW-JHOBJCJYSA-N 619.601 4.783 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867524933 SBVVJGGMQUKFDZ-IOWSJCHKSA-N 601.792 4.923 10 10 KJCE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868726063 ZOPGBKQUFNCJKT-IZLXSDGUSA-N 503.618 4.600 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCc3cccs3)C2=O)cc1 1873168176 LOIHLRUFIUGGLL-UHFFFAOYSA-N 525.630 4.997 10 10 KJCE CCCCOCCCN1C(=O)C(NCc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873168384 SUWQFVMWVZKZOQ-UHFFFAOYSA-N 529.637 4.899 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(-c5ccc(OC(C)C)c(OC)c5)[nH]c4c3)CC2)cc1 1873507014 WDPOHHZZKVEISX-UHFFFAOYSA-N 500.599 4.997 10 10 KJCE CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 2040469750 LEPVYROVSQZHJH-QFIPXVFZSA-N 553.731 4.962 10 10 KJCE COC(=O)c1c(C(C)(C)C)nn([C@H](c2ccc(OC)cc2O)C(C)(C)C)c1I 2080052231 KKBNXXTWFIFKHC-QGZVFWFLSA-N 500.377 4.922 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(Cc4ccccc4)SC3=NC2=O)ccc1OC(=O)c1cccs1 2293556310 UPTUWTVSGDMIFP-UHFFFAOYSA-N 502.577 4.838 10 10 KJCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)n2c(sc(=Cc3ccc(N4CCCC4)cc3)c2=O)=N1 2297635301 MTELMTCZTUAPFS-NDEPHWFRSA-N 538.648 4.613 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC3CCCCC3)nc12 2314413863 JMHQHXKQJMWYHQ-UHFFFAOYSA-N 586.743 4.951 10 10 KJCE CN1C(=O)C(=C(Cc2ccccc2)C(=O)Nc2nnc(CSc3nc4ccccc4o3)s2)SC1=S 2314487563 GCFPNHFHZSKUGC-UHFFFAOYSA-N 539.689 4.897 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3cccc([N+](=O)[O-])c3)SC2=S)cc1OC 2323679847 FYHWAYWWQNCKMQ-KRWDZBQOSA-N 502.570 4.809 10 10 KJCE CCOc1cc2c(cc1OCC)[C@H]1[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N1CC2 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526.421 4.888 10 10 KJCE Cc1ccccc1N1C(=O)NC(=O)/C(=C/c2cc(I)cc(I)c2OC(C)C)C1=O 1084390762 URZCVNGGBBMWRI-DHDCSXOGSA-N 616.193 4.658 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864010833 PHYNDNQBNAUUPD-XMMPIXPASA-N 531.012 4.900 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2C[C@@H](C)N(CCCOC)[C@H](C)C2)n1 1868386839 JBSLBMQPDRQNKO-NHCUHLMSSA-N 527.669 4.884 10 10 KJCE CCOCCCN1C(=O)C(NC2CCN(Cc3ccccc3)CC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873162348 QXQJVFMTCXFEME-UHFFFAOYSA-N 540.708 4.855 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCCCCC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314400194 KRGYGLXIEWTUPE-UHFFFAOYSA-N 520.680 4.793 10 10 KJCE O=C(CCCCCN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831862 UGTKKEKUNNOBAT-UHFFFAOYSA-N 500.558 4.903 10 10 KJCE C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@H](C)O2)c1C3=O 82186464 MFTJRTUKCOVIMD-RUQNJTLRSA-N 688.818 4.678 10 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COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)Cc3sc(-c4ccccc4)nc3-c3cccs3)CC2)cc1 1868580398 FXRJZLLYYOOBFM-FQEVSTJZSA-N 546.718 4.943 10 10 KJCE CCC[C@H](NC(=O)/C=C(\CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868947924 ILMXRNIHTRNIHX-ZOFLOHRWSA-N 558.517 4.893 10 10 KJCE CC(C)OC(=O)COc1cn(CCc2cnc[nH]2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870907562 RBGYKQVZGRRBKF-UHFFFAOYSA-N 501.587 4.500 10 10 KJCE COc1ccc(CCC(=O)Oc2cccc(C(=O)CCN3CCN(c4ccc(OC)cc4)CC3)c2)cc1 1874736657 PIWBHQBULPEKKZ-UHFFFAOYSA-N 502.611 4.637 10 10 KJCE CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2297298469 MGMMNNNMKCFBIH-UHFFFAOYSA-N 538.423 4.613 10 10 KJCE Cc1ccc(CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c(O)c1Br 2327585164 FQIXHIDDLDZUTH-OXJNMPFZSA-N 507.425 4.578 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778165 CEMKCBJJHBJWHA-IMRQLAEWSA-N 605.717 4.531 10 10 KJCE COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 100275990 GOGWUCHAMFZKQO-WGOQTCKBSA-N 528.561 4.599 10 10 KJCE C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N(CCC(=O)O)C3=O)c2)C1 102849768 YAIYLBOTYOFLTK-JWGRYVKWSA-N 596.756 4.636 10 10 KJCE CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 110523084 NNZDQGPCYWZACD-DIBXZPPDSA-N 587.746 4.958 10 10 KJCE CCCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 110531405 YBYVWUFPSSQGGB-UGHLTKRUSA-N 595.766 4.674 10 10 KJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O 213167977 VVJJEGKNTSSPLD-XLNRJJMWSA-N 515.616 4.939 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 1084071563 HRHFNVUOYJVYMO-DEDYPNTBSA-N 505.483 4.627 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864012305 XDWPLXCJNLWUML-PUAOIOHZSA-N 531.012 4.876 10 10 KJCE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864016795 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CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](C(=O)O)([C@H](C)CC)[C@@H]2C1=O 248205083 ZOVPORZIEQIYER-HRDIPXQISA-N 543.458 4.599 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252666814 CJAQFRVBGXWMKU-MUUNZHRXSA-N 575.134 4.925 10 10 KJCE CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254799772 LHTGHUPYSKSIPE-SANMLTNESA-N 529.065 4.593 10 10 KJCE CC(=O)N1CCCCCCCN(Cc2ccccc2OCCN(C)C)Cc2cc(N3CCOCC3)ccc21 643589459 TVMIJDZTISTNEC-UHFFFAOYSA-N 522.734 4.783 10 10 KJCE CCCn1nc(C)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864009187 BPESJKKYFLKUKM-VWLOTQADSA-N 510.594 4.613 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864021872 RJCIGXUFTBOLFF-NRFANRHFSA-N 530.547 4.543 10 10 KJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc2C1=O 1865898890 UFEXVSCVPXQNFN-MHZLTWQESA-N 535.648 4.931 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 2314769398 PTVKVNCROXXLPK-SANMLTNESA-N 568.717 4.982 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCc3ccco3)nc12 33803780 HHTYORPRYXORDH-UDWIEESQSA-N 506.584 4.749 10 10 KJCE COc1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1CN1C(=O)c2ccccc2C1=O 34746642 AEJUHQARWADPLL-OEAKJJBVSA-N 509.518 4.615 10 10 KJCE C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(=O)O)Cc1ccc(N)cc1 78938005 ADYHBZJCWPIGJS-FPRYDEEZSA-N 572.706 4.804 10 10 KJCE in-vitro COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C/c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1 101673729 XOZSWZXJORMZDG-OEAKJJBVSA-N 547.995 4.682 10 10 KJCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 143246551 IGXZRIFLLJYFPW-FMCGGJTJSA-N 536.679 4.923 10 10 KJCE COC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 252673085 QXJGSFHPCWZNOM-NDEPHWFRSA-N 569.683 4.637 10 10 KJCE C/C=C(\C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)c([C@@H]2C[C@](C)(N(C)C)[C@H](O)[C@H](C)O2)cc([C@@H]2C[C@H](N(C)C)[C@H](O)[C@@H](C)O2)c1C3=O 254134179 MFTJRTUKCOVIMD-WBPJQRDISA-N 688.818 4.678 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029577 QPELPWMQWHFZEP-QHCPKHFHSA-N 523.033 4.987 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865029974 ZIJNAWSUEYDHNW-QMHKHESXSA-N 523.033 4.985 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030699 OXFPOODLWXQJTH-FUMQJTLXSA-N 534.632 4.633 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035100 LCTQXXLRGVDBDR-HJPURHCSSA-N 523.033 4.654 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Cl)cc1 1866202875 CAISGNPYTZZZCC-WOJBJXKFSA-N 513.015 4.768 10 10 KJCE CCCC[C@@H](NC(=O)c1cc(-c2ccc(OC)cc2)nc(O)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866623341 RUXJCWVISFLDQT-XMMPIXPASA-N 564.598 4.561 10 10 KJCE CC[C@@](C)(NC(=O)CCCc1ccc(OC)c(OC)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866786386 QQNPIWUCXLHFJO-WJOKGBTCSA-N 528.605 4.726 10 10 KJCE CC[C@](C)(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867909822 QFRMNRUHXHUYBW-SQHAQQRYSA-N 530.069 4.556 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc4c(c3)OCO4)C(=O)N(CCCOC(C)C)C2=O)cc1 1873168412 UPEMBHLYKIATSQ-UHFFFAOYSA-N 515.610 4.508 10 10 KJCE O=C(N[C@H](C(=O)O)c1cc(I)ccc1O)OCC1c2ccccc2-c2ccccc21 1951380919 DTYDUJCLHHOVLC-NRFANRHFSA-N 515.303 4.661 10 10 KJCE CCCC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 2313681763 MQWWHRNVBDRHOZ-UHFFFAOYSA-N 511.007 4.820 10 10 KJCE O=C(C=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1 2313785309 VOZKQRYHZYLOML-UHFFFAOYSA-N 571.453 4.658 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@@H](C)C3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314400995 UDYJNIAKTAWWHU-FHWLQOOXSA-N 520.680 4.579 10 10 KJCE CCOc1c(Br)cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1OC 2314764411 BREMEWYEVMBXRJ-UHFFFAOYSA-N 507.431 4.711 10 10 KJCE CCNC(=O)N1c2cc(C)c(C)cc2C(=C2SC(C(=O)OC)=C(C(=O)OC)S2)C(=S)C1(C)C 33691132 OTQWQQNTDNRUQD-UHFFFAOYSA-N 506.671 4.708 10 10 KJCE O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O)Nc1nccs1 35519554 BAYHYYGYTZPQFY-GZTJUZNOSA-N 504.615 4.603 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(N(C)C)c3)[C@@H]2c2ccc(O)c(O)c2)cc1Br 526503249 BZVZZDMJIDDZMC-HSZRJFAPSA-N 511.372 4.992 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)sc(C)c1-c1ccc(Cl)cc1 1860651576 OQYZDKARKQZYJP-IEBWSBKVSA-N 505.036 4.910 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864018887 TUZXSPYQTJOIFX-QFIPXVFZSA-N 529.012 4.699 10 10 KJCE COc1ccccc1NCCC(=O)N[C@H](C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 1866888925 COTVVXXLFQCKTO-LJAQVGFWSA-N 533.584 4.769 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2F)N2CCCCC2)cc1 1867855432 ILVHYBDQLWIYBE-FQLXRVMXSA-N 516.661 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1868680652 BBKJWGLOAZOMLM-LYZGTLIUSA-N 536.072 4.624 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873168776 JHEKZQCOJWGMHO-UHFFFAOYSA-N 541.615 4.917 10 10 KJCE CN(CCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C)Cc1ccccc1 2080890517 XZDDWXUFTVZLJX-SANMLTNESA-N 533.669 4.694 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4F)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296938381 FNGLFZDAGHDABR-UHFFFAOYSA-N 551.713 4.860 10 10 KJCE CCOC(=O)COc1ccc(Br)cc1C=C1C(=O)N(c2ccc(Br)cc2)N=C1C 2297507903 RIOOQGAIMSFMEL-UHFFFAOYSA-N 522.193 4.960 10 10 KJCE COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1C 2313561027 QCUQLNHBFBKBHA-UHFFFAOYSA-N 536.382 4.618 10 10 KJCE O=C(NCCc1ccc(O)cc1)c1cc2cc(O)c(O)cc2c(-c2ccc(O)c(O)c2)c1C(=O)NCCc1ccc(O)cc1 85881442 CLNINZAIEQRASP-UHFFFAOYSA-N 594.620 4.685 10 10 KJCE biogenic,in-vitro COc1ccc(N2CCN(C(=O)CCC[C@@H]3[C@H]4CCCN5CCC[C@@H](CN3C(=O)c3ccccc3)[C@@H]45)CC2)cc1 257188539 MVJCAEFGOVCEDD-ZCFIMDDYSA-N 544.740 4.529 10 10 KJCE Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860598299 FIDAMGKSFYPHNB-UHFFFAOYSA-N 508.574 4.611 10 10 KJCE Cc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864010321 RXPIQPRNQUUTCD-MHZLTWQESA-N 542.611 4.624 10 10 KJCE CCCc1nn(-c2ccc(Br)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864011749 XPVBRFYFTHLZLV-SZNDQCEHSA-N 541.446 4.608 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2c(F)cccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864016513 QXYHYRWKGIEBRO-QFIPXVFZSA-N 534.975 4.633 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1865032355 ATRPLZDSVYEEHD-QFIPXVFZSA-N 511.022 4.843 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865032513 DYEDUAIKRWRVKB-QHCPKHFHSA-N 523.033 4.985 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C[C@H](c3ccccc3)C3CC3)CC2)cc1 1868684048 RUGCTKGDIDZWCC-IHLOFXLRSA-N 529.656 4.794 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 1868715270 FJSLOUOVUAGUPE-UHFFFAOYSA-N 521.608 4.739 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccccc5)C4)nc(C(C)(C)C)n3)CC2)cc1 1869192293 PGSHNSFSRADWDM-AREMUKBSSA-N 500.691 4.602 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccccc4F)cn3Cc3ccco3)CC2)cc1 1870343435 DQHWQILYCOELAH-UHFFFAOYSA-N 503.574 4.539 10 10 KJCE CCCCCCOc1cn(Cc2ccc(O)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870674894 FYQCYSXQGIXZLC-UHFFFAOYSA-N 505.659 4.892 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5cccc(C)c5)ncnc4n3Cc3ccco3)CC2)cc1 1875232317 YHZGKIISXXXPCC-UHFFFAOYSA-N 536.636 4.964 10 10 KJCE COc1cc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4)c(OC)c3)C2=O)c(OC)cc1Cl 2297578530 NDWNLZAHOHUNKC-UHFFFAOYSA-N 522.941 4.611 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc(I)cc1 2313558800 KEFWJKXTVCPXKW-UHFFFAOYSA-N 588.398 4.849 10 10 KJCE O=C(CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 15044569 SVQRXMGNIBYXBR-RGEXLXHISA-N 500.558 4.903 10 10 KJCE CCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 39990483 BNKXJKBRDREVJN-RJRFZRGISA-N 528.744 4.691 10 10 KJCE COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(I)cc4)c(OC)c3)C2=O)cc1 100345242 QGINECTTYSMHHG-BKUYFWCQSA-N 584.366 4.554 10 10 KJCE COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCC3)c2)SC1=S 101013259 IBTIBWXOUFHUBF-PLRJNAJWSA-N 582.773 4.952 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 103849890 LCTAPEAZZBPTQO-LSCVHKIXSA-N 569.339 4.571 10 10 KJCE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110527772 KKIGMZVDXGKBLB-BSJBVGEKSA-N 596.775 4.513 10 10 KJCE COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(O[C@H]3c3ccc(C(C)(C)C)cc3)C(=O)c3ccccc3C2=O)cc1 253560176 AMBJKTATRAJQRP-GVAUOCQISA-N 509.558 4.688 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526333068 MMKBLZLOYWDPSQ-AREMUKBSSA-N 504.539 4.911 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864017550 OUPQJYHJFMLDPI-HSZRJFAPSA-N 534.975 4.649 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 1865029382 LYJVUFCWEXHNAO-MUUNZHRXSA-N 546.583 4.865 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030991 WLRNLVMOIZSHEH-QFIPXVFZSA-N 511.022 4.512 10 10 KJCE COc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c([N+](=O)[O-])cc1OC 1867802014 PTKYEQKODBKOEJ-XRKRLSELSA-N 621.710 4.502 10 10 KJCE CN(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867884950 DQWQLMZMTYHMAX-CONSDPRKSA-N 541.740 4.503 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(c3ncncn3)CC2)n1 1868387092 QSXJPYOOAZDAFI-UHFFFAOYSA-N 505.582 4.517 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(c5nc(C)n(C)n5)CC4)nc(-c4ccccc4Cl)n3)CC2)cc1 1869247497 QTBJXKCZDCTVEI-UHFFFAOYSA-N 559.118 4.953 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCC(C)C)cn3CCc3ccc(F)cc3)CC2)cc1 1870352068 CQHOBTQHTHOHCA-UHFFFAOYSA-N 507.650 4.986 10 10 KJCE CCc1ccccc1NC(=O)COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871187640 DDMBOLFNVQSWCW-UHFFFAOYSA-N 512.610 4.776 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873170791 QQNJEPWERFXAQK-UHFFFAOYSA-N 517.073 4.754 10 10 KJCE Cn1c(C=C2C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccc(I)cc2c1=O 2295914240 ZTSQZXRYVAOQSM-UHFFFAOYSA-N 519.342 4.626 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2313558907 MQKSCTAMDUBMFB-UHFFFAOYSA-N 521.526 4.543 10 10 KJCE Cc1ccc2nc(N3CCC(C)CC3)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 2314400462 MYRCSWCQKPKSKX-UHFFFAOYSA-N 508.644 4.780 10 10 KJCE O=C1NC(=S)SC1=Cc1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 2314508161 QVBJYWJLJKQECP-UHFFFAOYSA-N 524.693 4.593 10 10 KJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1C=C1SC(=S)N(Cc2ccccc2)C1=O 2314508281 OJRZRSVDVRBGIB-UHFFFAOYSA-N 501.589 4.897 10 10 KJCE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccc(Br)cc1 2314765194 XHHMLPSVHXSSFO-UHFFFAOYSA-N 550.459 4.912 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)C2=O)cc1 101354018 ADDKWBWOKGXIGU-KRFWEUHSSA-N 539.723 4.560 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)cc1 109953418 CBRRXDPEZGPVPK-QOMWVZHYSA-N 601.729 4.613 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012606 DZGBTYJVRRHWGH-IVZQSRNASA-N 511.022 4.558 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865035125 MCBUXVFRUJPPGW-XMMPIXPASA-N 504.631 4.645 10 10 KJCE COc1cccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867386199 AZJZKUTXLXXRQW-URLMMPGGSA-N 514.670 4.576 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867472298 OEIBRTFKSIHXQG-CEUYOYMZSA-N 667.807 4.662 10 10 KJCE CCc1cccc(OC2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(CC)n3)CC2)c1 1869131302 YKCVXXQJUBDJAA-UHFFFAOYSA-N 501.675 4.984 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@H]5C4)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869169887 OVYDDMHHQRNUJY-SSEXGKCCSA-N 560.702 4.733 10 10 KJCE COCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3Cl)n2)C[C@H]1C 1869237824 DLLSMSXMMNFMJS-DHIUTWEWSA-N 551.135 4.678 10 10 KJCE CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871093089 NMCSKMJVLOSBEN-UHFFFAOYSA-N 512.610 4.928 10 10 KJCE CCOC(=O)c1ccc(CN2C(=O)C(NCCCOC(C)C)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873166013 YEWUWOZEABXXPR-UHFFFAOYSA-N 543.664 4.956 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 2295934270 RVLCCRMZWRYYPK-UHFFFAOYSA-N 529.643 4.842 10 10 KJCE Cc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc2n1Cc1ccccc1[N+](=O)[O-] 2297556245 WCJCNUKTTFKPMM-UHFFFAOYSA-N 514.538 4.877 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N1CCCCC1 2314765026 RVYURLNBASMACA-UHFFFAOYSA-N 604.548 4.785 10 10 KJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)o2)cc1 101082970 QMVAGUJASHSNOL-NRFANRHFSA-N 547.471 4.762 10 10 KJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(Cc3ccccc3)CC2)SC1=S 110521489 FOFHTKHZAZNMIR-BWAHOGKJSA-N 549.766 4.762 10 10 KJCE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O 110526777 FJVDRRWREWXOLE-BWAHOGKJSA-N 547.750 4.909 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 137759846 CTBLQPGOLUDQNN-XIHJABAGSA-N 536.723 4.844 10 10 KJCE Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)NC1=S 1084059133 ROSSLWOKBRFQNT-MOSHPQCFSA-N 551.418 4.866 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017468 MZGCALVYTZOQTL-HSZRJFAPSA-N 518.614 4.523 10 10 KJCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@H]2c1ccc(O)c(O)c1 1865026019 IAIPUXNUQGSUCN-MHZLTWQESA-N 524.621 4.936 10 10 KJCE CCCc1nn(CC)c2c1[C@H](c1ccc(Cl)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865085792 NBMHMTJYKSEIFN-DEOSSOPVSA-N 536.076 4.561 10 10 KJCE O=C(CCCc1ccc2c(c1)OCCO2)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866787341 SASIZNPEPPKXSV-NDEPHWFRSA-N 590.632 4.628 10 10 KJCE CCCCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421126 IGQBBSMCASXDJJ-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE CCOC(=O)c1ccc(N2N=C(C)C(=Cc3ccc(-c4ccc5c(c4)C(=O)N(C(C)C)C5=O)o3)C2=O)cc1 2297458325 QFZPCMOMHQWSSS-UHFFFAOYSA-N 511.534 4.934 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 2313556491 AUXYLHKAYKTVNB-UHFFFAOYSA-N 610.373 4.730 10 10 KJCE O=C1C(=Cc2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1Cc1ccc(F)cc1 2314414352 WYLCCZSWPFEHRU-UHFFFAOYSA-N 516.623 4.890 10 10 KJCE O=C(CN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)Nc1ccc(F)cc1 2314827888 ONNWDJNSKIUBFV-UHFFFAOYSA-N 546.237 4.896 10 10 KJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OCC)c2)SC1=S 101738789 BWUHYEFETFQTCW-INZJWMLVSA-N 568.717 4.982 10 10 KJCE CCC1=NN2C(=N)/C(=C/c3ccc(OCCOCCOc4cccc(C)c4)c(OC)c3)C(=O)N=C2S1 102916505 JCPZBJGRTHXXFP-UCXLZHGVSA-N 508.600 4.507 10 10 KJCE CCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 143249252 SZWUHVNBJWSNMM-ROTLSHHCSA-N 574.684 4.799 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(O)c2)c1 1864012002 OTUNXHLXRVZGKF-AREMUKBSSA-N 545.039 4.932 10 10 KJCE NC1=C(C(=O)NC2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1 1864015245 NDMRAXMSSVNHMB-SFHVURJKSA-N 534.922 4.709 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccc(C)cc1)[C@H]2c1ccc(O)c(O)c1 1864015906 GHHTVVGTWKCTNX-DEOSSOPVSA-N 510.594 4.691 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccc3c(c1)CCCC3)[C@@H]2c1ccc(O)c(O)c1 1864021545 CMWHWAABHCEYKM-LHSJRXKWSA-N 542.558 4.784 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](c3ccc(Cl)cc3)C3CC3)CC2)cc1 1868867361 CWBGMJJMANWIJU-VMPREFPWSA-N 532.084 4.919 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCCOc1ccccc1C 2296073692 WNVRMZNSIIJCEF-UHFFFAOYSA-N 527.606 4.914 10 10 KJCE Cc1ccc(C)c(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c1 2296711303 LBQQXRCQFIWBJQ-UHFFFAOYSA-N 503.605 4.653 10 10 KJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)ccc1OCCOc1ccc(Br)cc1 2297347428 KKHSWZIINKLKKA-UHFFFAOYSA-N 512.360 4.756 10 10 KJCE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br 2313510634 YFSJZVIXEVMWQL-UHFFFAOYSA-N 508.166 4.503 10 10 KJCE CCCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OC)c2)SC1=S 2314767430 GOSNRXJZUVSNJJ-XMMPIXPASA-N 649.585 4.591 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2760665 DXVMSHHNSQLDQP-HVDVVURSSA-N 597.737 4.760 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)O[C@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 100851201 NLQAXLULZZDODS-CZNNXAQKSA-N 541.098 4.671 10 10 KJCE CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O 103813650 VEQBUKNRGTWCGH-XNTDXEJSSA-N 522.193 4.894 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(SC)cc1 1083998089 ACGHGVQZYOQAGF-NDEPHWFRSA-N 555.725 4.724 10 10 KJCE Cc1cc2occ([C@@H]3N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@H]4C(=O)N(Cc5ccc6c(c5)C(=O)c5ccccc5C6=O)C(=O)[C@H]43)c(=O)c2cc1Cl 1088595087 IPYBHBSNPQUELV-OFVGIFNWSA-N 732.101 4.950 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1OC 1858588222 VMBDEGXETZVVTJ-RSZPVBOMSA-N 517.625 4.918 10 10 KJCE O=C(COc1ccc(Cl)cc1)Nc1cc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)ccn1 1860507508 CVICBDIWUNXUCN-UHFFFAOYSA-N 511.921 4.780 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012691 GVXNZGHZRJCJPX-VWLOTQADSA-N 545.039 4.960 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864012948 MTXMUWFAHVKTEB-HSZRJFAPSA-N 525.049 4.950 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864012951 MUBUPXLWGNKPPM-VWLOTQADSA-N 518.658 4.995 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2O1 1865031261 CUJOLXRVIVENHW-XMMPIXPASA-N 543.023 4.980 10 10 KJCE CCC[C@H](NC(=O)CCC(=O)c1ccc(C)cc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867090734 JCGABOFORPDRGA-VWLOTQADSA-N 510.590 4.965 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](CO)NC(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)N2CCCCC2)cc1 1867561817 BWNQVQYHIILNFO-NOCHOARKSA-N 621.782 4.696 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)c3ccccc3)CC2)cc1 1868863458 JFOZPASRZFVIPJ-KYJUHHDHSA-N 545.680 4.658 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H]4C[C@@H]4c4ccccc4Cl)n(-c4ccccc4)n3)CC2)cc1 1869970314 IKXQBAPDLBRYFG-JWQCQUIFSA-N 529.044 4.998 10 10 KJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccco3)C2=O)cc1 1873419130 QNKWUVUPAZIBSP-UHFFFAOYSA-N 509.562 4.795 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4c(C)cccc4C)cc3)CC2)cc1 1874757109 ZWWJZZNBRSFIND-UHFFFAOYSA-N 501.627 4.725 10 10 KJCE [N-]=[N+]=NCCCCCCOCCCCCOCCCCCC(=O)Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2080392651 XTRFVWPKELKMMN-DEOSSOPVSA-N 598.701 4.661 10 10 KJCE N=C1/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N=C2SN=C(S(=O)(=O)Cc3ccccc3)N12 20207482 UECXKVKWGQILEY-NWSLSDTJSA-N 510.984 4.792 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 54310933 NNXFHARAUOEIHE-PXDATVDWSA-N 500.705 4.814 10 10 KJCE Cc1cc(I)ccc1NCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 59378566 AZWRPRXVJLUWCI-WOJGMQOQSA-N 509.438 4.936 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(SCc4cccc(C)c4)s3)C2=O)cc1 101195915 VZZBFTFTBAPEBN-WQRHYEAKSA-N 528.706 4.987 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101693838 FHQPWPYBSJFTRL-YVLHZVERSA-N 538.856 4.624 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1C 102479576 HHPAXVQHWCCHDN-QCLJFUGUSA-N 527.606 4.832 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864019754 QEKIEANNGGHMIE-HHHXNRCGSA-N 538.648 4.841 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865014653 BEZIGCRSPBASOG-MUUNZHRXSA-N 549.675 4.877 10 10 KJCE CCOC(=O)c1ccc(N2C[C@@H](C(=O)Nc3sc(C)c(-c4ccc(C)cc4)c3C(=O)OC)CC2=O)cc1 1865926048 XZTWATNIFONLIC-FQEVSTJZSA-N 520.607 4.987 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(F)cc2)N2CCCCC2)cc1 1867334598 GRYOXSWXRLSFIX-VMPREFPWSA-N 534.651 4.715 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867786187 QYTYNTOFLZCBJA-POURPWNDSA-N 578.758 4.893 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CCO[C@@H](c4ccncc4)C3)n2)cc1 1869332015 AWHUYNXXYBHBFP-GDLZYMKVSA-N 552.679 4.850 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296547611 LUPCPCLMEGTGJN-DEOSSOPVSA-N 572.712 4.601 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414133 QLZSXLLYAXTVHW-HDICACEKSA-N 548.690 4.615 10 10 KJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 2314831699 PZIOFABFXXLBHK-UHFFFAOYSA-N 505.415 4.767 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc(Br)c1OC 40928062 ZKKOTDVMBGADMI-VBKFSLOCSA-N 502.452 4.791 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(Cc3cccc(C)c3)C(=O)c3ccccc3S4(=O)=O)CC2)cc1 101455981 BYUCYTLAIYWBGL-UHFFFAOYSA-N 581.694 4.959 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1c(C)cccc1C 103615253 XLISFXGKAZIYFZ-QCLJFUGUSA-N 527.606 4.832 10 10 KJCE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2NCCc2ccc(OC)c(OC)c2)SC1=S 143339088 AUGOWHCQDNWLPM-JLPGSUDCSA-N 552.722 4.888 10 10 KJCE O=C(O[C@@H]1Cc2c(O)cc(O)c([C@@H]3c4c(O)cc(O)cc4O[C@H](c4ccc(O)c(O)c4)[C@@H]3OC(=O)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1 150341527 KTLUHRSHFRODPS-YWRZVKOASA-N 882.736 4.958 10 10 KJCE endogenous,in-man Cc1ccc2nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 150419181 ZYFNLQPLHHUYEK-JFLMPSFJSA-N 629.739 4.594 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC[C@H](c3ccccc3)N3CCCC3)c2C(=O)OC)cc1 1860763980 UYGOVTUZTBEHQK-AREMUKBSSA-N 620.772 4.649 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC[C@@H](c3ccccc3)N3CCCC3)c2C(=O)OC)cc1 1860763981 UYGOVTUZTBEHQK-SANMLTNESA-N 620.772 4.649 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864008602 NVAUKDPZXLPUBX-HSZRJFAPSA-N 537.403 4.910 10 10 KJCE NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1 1864015122 JYCMCZLGOBSILY-GOSISDBHSA-N 546.889 4.560 10 10 KJCE 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CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2c(sc(=Cc3ccc(N(C)C)cc3)c2=O)=N1 254799770 LHTGHUPYSKSIPE-AREMUKBSSA-N 529.065 4.593 10 10 KJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(N(C)C)cc2)cc1 526563755 SNDRSIVQMOOUOH-AREMUKBSSA-N 502.567 4.622 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864008389 JHYYOROPXJGOQQ-MYYSRTQBSA-N 516.985 4.817 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)cc2O)sc(C)c1-c1ccc(Br)cc1 1866270002 MEKYLAOKQRHJRC-UHFFFAOYSA-N 570.421 4.785 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)c2cc(O)c3cc(I)cc(F)c3n2)N2CCCCC2)cc1 1866528922 GLSBEEDMFLPJOI-QFIPXVFZSA-N 562.427 4.707 10 10 KJCE CCOC(=O)CN(Cc1ccccc1)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(C(C)(C)C)n1 1867966608 GRKORMSCTQOPSX-UHFFFAOYSA-N 517.674 4.679 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868916661 ONIZEIQJGNIWFX-MUUNZHRXSA-N 572.706 4.967 10 10 KJCE 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CCc1ccc(COc2cn(Cc3ccccn3)c(CN3CCN(c4ccc(OC)cc4)CC3)cc2=O)cc1 1870467186 QYIQISFZKBAAIC-UHFFFAOYSA-N 524.665 4.764 10 10 KJCE CCCCCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870679923 LJPDEBNQDIRZGE-UHFFFAOYSA-N 505.659 4.805 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccc(CC(=O)OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423055 CGSBGJSGVDIWNL-UHFFFAOYSA-N 542.680 4.734 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)O[C@H](C)C3)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 2314400997 UDYJNIAKTAWWHU-OTWHNJEPSA-N 520.680 4.579 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O 2314932729 PAKPFDZJDHBSAP-UHFFFAOYSA-N 564.641 4.674 10 10 KJCE COc1ccc(OCCCOc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2)cc1 34719163 YXNPYBHWIQOTQM-CLJVFQDKSA-N 513.579 4.606 10 10 KJCE CCN(CC)c1ccc(CN(CC(C)C)C(=O)COC)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 96291249 JJQTTWAWJKPXEO-UHFFFAOYSA-N 530.609 4.950 10 10 KJCE CN(C)c1ccc(CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 100915225 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4.776 10 10 KJCE CC[C@](C)(NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868991615 BWLMGFIRROFXGW-HKBQPEDESA-N 532.685 4.958 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N(C)C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423100 FAVPMMBMFMRVGH-UHFFFAOYSA-N 508.626 4.639 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1[N+](=O)[O-] 1873424370 CMMNOJXQBPHAFO-UHFFFAOYSA-N 531.613 4.545 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NC[C@H](c5ccc(O)cc5)N(C)C)ncnc4n3Cc3ccccc3)CC2)cc1 1875217692 FOORTSGPYICPOP-JGCGQSQUSA-N 605.743 4.871 10 10 KJCE CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC 2297322364 XHNDUHIGWAVEBI-UHFFFAOYSA-N 577.227 4.837 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc(Br)c1O 2314767225 FAHFXXKNUFNKLK-QGZVFWFLSA-N 508.415 4.669 10 10 KJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468691 BCVUHNTUGLMQFA-JWZKTCGFSA-N 504.608 4.926 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)c(=O)n2c1 100884319 PRFSHCGPZHDTKI-NLRVBDNBSA-N 567.740 4.727 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)c1 101013576 HEEFBRIZEZWWHE-JWGURIENSA-N 526.709 4.839 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(NCCCn3ccnc3)nc12 102825330 MHSAWYHDVXZACC-NDWLXSOOSA-N 530.679 4.664 10 10 KJCE CCOc1c(I)cc(C=C2C(=O)OC(C)(c3ccccc3)OC2=O)cc1I 103913934 MKFMMRUVRFNCCO-UHFFFAOYSA-N 590.151 4.651 10 10 KJCE O=C1[C@H]2[C@H](C(=O)N1C1CCCCCC1)C1(O[C@H]2c2ccc(Br)cc2)C(=O)c2ccccc2C1=O 105493148 BNZIXLALWBIGGW-BDTNDASRSA-N 522.395 4.662 10 10 KJCE O=C1N=C(N2CCOCC2)S/C1=C\c1cc(I)cc(I)c1OCc1ccccc1 157947933 XSUWTBFIFZMTBP-WQRHYEAKSA-N 632.261 4.777 10 10 KJCE CCOc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 1084309265 ZAORUHOYGHQYEE-HMAPJEAMSA-N 508.372 4.922 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)[C@@H]2c1ccc(O)c(O)c1 1864021327 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Cc1ccc(CN2C(=O)C(=Cc3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 2297469045 AYOOLGGATLQIOB-UHFFFAOYSA-N 524.671 4.967 10 10 KJCE N=C1C(=Cc2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2297469385 HJSDJQDZMKFLDN-UHFFFAOYSA-N 505.918 4.761 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1 2313557460 DDIHQTBBPJBGDH-UHFFFAOYSA-N 513.294 4.973 10 10 KJCE CCc1ccc(C(C)=CC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329489888 TYUKCMSTECIVLQ-PMERELPUSA-N 529.656 4.876 10 10 KJCE Cc1c(Cl)cccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 9994851 QHLBGHUSIMRSAN-BHIFYINESA-N 506.341 4.997 10 10 KJCE CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 33939361 FGNWXUOEQYBXIH-BWAHOGKJSA-N 501.608 4.911 10 10 KJCE C[C@@H]1CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c2)C[C@@H](C)O1 101013732 XOTWISXSRYQEPN-JDFDBPGYSA-N 624.810 4.717 10 10 KJCE CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C 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NKLPPGJXTKDRSN-NSJVFKKDSA-N 555.675 4.556 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869279812 CVAPBQOMPHFBBX-GDLZYMKVSA-N 582.655 4.703 10 10 KJCE CC(C)(C(=O)O)[C@H](NC(=O)OCc1ccccc1)c1cc(Br)cc(Br)c1O 1951871530 JGIOTTZKMMSQLT-MRXNPFEDSA-N 501.171 4.996 10 10 KJCE CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 2294216453 CXPCDKRNWDOEPG-UHFFFAOYSA-N 507.015 4.846 10 10 KJCE CCCN1C(=O)C(=C2SC(=S)N(Cc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 2296715386 XRLZMBPNGUNEEK-UHFFFAOYSA-N 503.443 4.986 10 10 KJCE CCN1C(=O)C(=CC=C2N(CC)c3cc(S(=O)(=O)N(C)C)ccc3N2c2ccccc2)SC1=S 2297458545 WEMJPHUTAPBUOS-UHFFFAOYSA-N 514.698 4.520 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCC(=O)Nc1ccccc1 2297561309 XFODSESUHNSCNH-UHFFFAOYSA-N 520.588 4.847 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2314399384 VSQNNFPRWMPKOI-HXUWFJFHSA-N 571.769 4.699 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314408564 FOYIHXIHSZWFCA-UHFFFAOYSA-N 615.756 4.921 10 10 KJCE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCCc3ccccn3)cc2)n1 98015249 HSTSQOZJLQIYRQ-UHFFFAOYSA-N 584.746 4.618 10 10 KJCE CCN1C(=O)C(=c2sc(=C/C=C3/N(C)c4ccc(-c5ccccc5)cc4C3(C)C)c(=O)n2CC)SC1=S 254344841 RGFHBSUAYKFYKX-IWWZXBAOSA-N 547.771 4.677 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(I)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 1084421701 YIHHKXDINZXJNI-AREMUKBSSA-N 639.515 4.729 10 10 KJCE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(C)C)=C(N)O2 1864010574 OABJOHXUUWZCRK-FQEVSTJZSA-N 517.413 4.762 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019783 QVVTZEUFSLBLMS-MHZLTWQESA-N 538.648 4.575 10 10 KJCE COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021352 BAQDXPDCYUQPDM-HSZRJFAPSA-N 547.011 4.832 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865027035 DJJYFTFGIXMFCB-OAQYLSRUSA-N 515.397 4.606 10 10 KJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865030459 KDAHRLHVYGUNEP-XMMPIXPASA-N 504.631 4.789 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1 1865032026 UDRIUWDOUFVGII-HSZRJFAPSA-N 528.996 4.921 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4CC(C)C)[C@H]3c3ccc(Cl)cc3)CC2)cc1 1865085484 GYEYNZOOHVBKRC-RUZDIDTESA-N 536.076 4.553 10 10 KJCE CCc1sc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)c2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866205084 STJVWLREMNGCPU-OALUTQOASA-N 557.466 4.741 10 10 KJCE CC/C(=C\C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868948529 WXVSTWTVBZXFOB-HTXNQAPBSA-N 544.490 4.503 10 10 KJCE COc1ccc(CCN2C(=O)C(NCc3ccccn3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873164018 IGSNNWOZAQZVFZ-UHFFFAOYSA-N 506.606 4.610 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CC=Cc5ccccc5)CC4)nc(C(C)C)n3)CC2)cc1 2330676764 KOKVTVQELUNEAN-UHFFFAOYSA-N 512.702 4.771 10 10 KJCE CC1CCN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccccc3Cl)C2=O)CC1 33470062 GWSHQOOQJUMLKL-XSFVSMFZSA-N 511.072 4.986 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 100886571 HBBVWNANBQORSP-NLRVBDNBSA-N 585.730 4.866 10 10 KJCE O=C(COc1ccccc1/C=C1\SC(=S)N(Nc2nc3ccccc3s2)C1=O)Nc1nccs1 101034356 JFIFIXVLBGBWMB-BOPFTXTBSA-N 525.662 4.999 10 10 KJCE Cc1cccc(N2C(=O)[C@@H]3[C@H](c4ccc(Br)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)c1C 105493175 RDOKMUDFZPZBMA-VABKMULXSA-N 530.374 4.761 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2Cl)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008495 LIZBRIROSJRDAJ-XMMPIXPASA-N 516.985 4.565 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864011580 VSOBCWOECHRGGD-RUZDIDTESA-N 524.602 4.818 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC)cc1)=C(N)O2 1864017951 ZBDYPNOHSQKISJ-XMMPIXPASA-N 547.011 4.519 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018540 NGYWMJXVGIYTCA-HSZRJFAPSA-N 523.033 4.702 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865034991 IPCIMJODDJDKRG-XMMPIXPASA-N 520.605 4.530 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867538214 XBDGHAMPDHDSTA-VSGBNLITSA-N 508.707 4.783 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)n1 1869225585 MDWDMBUTQRRVHE-HFZDXXHNSA-N 505.638 4.870 10 10 KJCE C[C@H](O)Cn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871176148 WEZWVRNLUYYIHZ-FQEVSTJZSA-N 516.573 4.741 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4cc(C)cc(C)c4)[nH]3)CC2)cc1 1871549765 LZINNUKAYYTOMK-UHFFFAOYSA-N 513.690 4.713 10 10 KJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873424649 HHJXHLIPBCSJFU-UHFFFAOYSA-N 554.691 4.878 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCC(=O)O)C2=O)cc1Br 2296727081 ONLHYUDXIGEMKY-UHFFFAOYSA-N 544.452 4.986 10 10 KJCE Cc1ccc2nc(NC3CC(C)(C)NC(C)(C)C3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2297455659 OTMVSTWVESCHLT-UHFFFAOYSA-N 537.711 4.718 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)C(C)=Cc3ccccc3)CC2)cc1 2330084007 IPWCXNMUBOWPDJ-GDLZYMKVSA-N 529.706 4.866 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(N4C[C@@H](C)O[C@H](C)C4)=NC3=O)c2)CC1 150448304 ODHUZXJVCUOTCV-ZIACXFEASA-N 663.822 4.583 10 10 KJCE CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@](CC4CCCCC4)(C(=O)O)[C@@H]3C2=O)cc1 248377649 HIIMBYZMIIANMM-TVQWTUMOSA-N 569.452 4.601 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865028935 BQLQRPLYKCSQGH-WAIKUNEKSA-N 523.033 4.843 10 10 KJCE CCc1sc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)c2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866205086 STJVWLREMNGCPU-RTBURBONSA-N 557.466 4.741 10 10 KJCE O=C(CCc1ccccc1F)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866594904 BNTMNFCRPBEQLA-HHHXNRCGSA-N 536.559 4.606 10 10 KJCE Cc1nnc([C@@H](CC(=O)N[C@@H](C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2cccc(Br)c2)o1 1867036262 YQLNVABVFBHHID-NYHFZMIOSA-N 587.430 4.581 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)N2CCCCC2)cc1 1867509234 FJABYOKJJPQDSE-ROJLCIKYSA-N 641.788 4.971 10 10 KJCE CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867540221 MJXQYKYCZMBNOF-JSOSNVBQSA-N 542.724 4.836 10 10 KJCE COCCCN1[C@@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccc(F)cc3)n2)C[C@H]1C 1869275260 OTHIHVWYSIBMFK-PSWAGMNNSA-N 548.707 4.553 10 10 KJCE COc1cc(Cl)c(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN(C)C)C1=O 1873421264 OOEKZJMFCKPALI-UHFFFAOYSA-N 507.034 4.818 10 10 KJCE CC(=O)Nc1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)cc1 1873916002 SWWGGHYNNUTOCP-GDLZYMKVSA-N 507.594 4.775 10 10 KJCE CC(=C/c1ccccc1)/C=C1\SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210748139 OQZMQYLWCIKUQD-XIQFOOCLSA-N 529.709 4.681 10 10 KJCE CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C1=O 1084377163 CJCXTUCTYUPSNP-ZMOGYAJESA-N 514.582 4.795 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864007961 YCPMWJMLCHPNKI-XGCWNURASA-N 540.620 4.735 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC2=CCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864010955 CNHFEJIKWHCIFZ-AREMUKBSSA-N 514.626 4.661 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864017612 QANBQADAPMTUFR-CJAUYULYSA-N 510.594 4.726 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865031384 FRNHSWUMOSRTFX-RUZDIDTESA-N 524.621 4.881 10 10 KJCE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865033964 LVHHOLFISFLAHW-NRFANRHFSA-N 542.558 4.847 10 10 KJCE CCCCCCOc1ccc2[nH]cc(C(=O)N[C@H](c3ccc(N(C)C)cc3)c3nccn3C)c(=O)c2c1 1866444501 AEYQMJYLHCBMRE-AREMUKBSSA-N 501.631 4.806 10 10 KJCE CSCC[C@@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867034380 MLKJDHDSEJGCCL-UKILVPOCSA-N 568.655 4.552 10 10 KJCE Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871065 JBKBXTXEZXRIPD-JDXGNMNLSA-N 575.685 4.793 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(CCc3cccc(OC)c3)CC2)n1 1868254377 NNTWBJGQGUFGGO-UHFFFAOYSA-N 577.685 4.558 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccs4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970495 LICQZZBMIOVSCZ-OUKQBFOZSA-N 521.046 4.969 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873425821 GQWPHMJIAIICLU-UHFFFAOYSA-N 565.655 4.766 10 10 KJCE O=C1N=C(N2CCN(C3=NC(=O)C(=Cc4cc(Br)ccc4O)S3)CC2)SC1=Cc1cc(Br)ccc1O 2296646536 MCIHGUMGUPHEBV-UHFFFAOYSA-N 650.374 4.881 10 10 KJCE COc1ccc(C=C2SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc1OC 2313502145 VERVDSBBAAKJJU-UHFFFAOYSA-N 526.421 4.888 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(I)cc2)cc1 2313557779 LWBXDYZZPXHTDK-UHFFFAOYSA-N 542.304 4.676 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)C[C@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314414177 RKLUUZSAJWLVGP-OALUTQOASA-N 534.707 4.895 10 10 KJCE Cc1ccc(OCC(=O)NN2C(=O)c3cc(Br)ccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 39920677 OTPMYIXWLSJGNH-DEOSSOPVSA-N 509.404 4.500 10 10 KJCE CCOc1cc(/C=C2/C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc(I)c1O 102779786 FRWGGRGONFCDFC-AWNIVKPZSA-N 526.714 4.553 10 10 KJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110528459 BXNAWYWNNYJPSV-UQQQWYQISA-N 566.749 4.890 10 10 KJCE CCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 143243424 SXOGTUAGYAYDOP-XYGWBWBKSA-N 596.738 4.864 10 10 KJCE COc1cccc([C@@H]2N[C@](CC3CCCCC3)(C(=O)O)[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]32)c1O 248151033 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10 10 KJCE CC[C@](C)(NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867609417 GRUKOWRVCVUXSZ-YWEHKCAJSA-N 515.098 4.657 10 10 KJCE CC[C@H](NC(=O)C[C@H](c1ccccc1)c1ccc(F)c(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868959518 WLEKOJKUFYGADH-NAKRPHOHSA-N 521.608 4.739 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4ccccc4Cl)n3)CC2)cc1 1869242946 UYNWZQHKCGJAMQ-GDLZYMKVSA-N 573.072 4.949 10 10 KJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C(C)C)c1I 2079858340 ONJJWRINFOOEJK-CQSZACIVSA-N 512.266 4.643 10 10 KJCE O=C1NCC[C@H]2CN(Cc3ccccc3O)CC[C@H]2CC(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2COc2ccc(C(F)(F)F)cc21 2080429428 LARYYYMUMHKNHZ-ZEZDXWPOSA-N 664.725 4.805 10 10 KJCE Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)C(=O)NC1=S 2293746707 JQSCAQKLWAYXRY-UHFFFAOYSA-N 507.999 4.894 10 10 KJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 2314476133 JIIQJKGMSLRBTQ-UHFFFAOYSA-N 568.746 4.562 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c(C)c1 2314829266 UBGQXAIUWSINRC-UHFFFAOYSA-N 512.588 4.813 10 10 KJCE COc1cc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc(OC)c1O 15037800 SIFSEBJRMSWMEP-YVLHZVERSA-N 512.531 4.658 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)cc1OC 33355451 KYIPECMOKZDFLU-NCELDCMTSA-N 572.712 4.810 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864019588 MVYIVXGFNDWPED-AREMUKBSSA-N 524.621 4.516 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665176 FMGFYJKIAJNIEG-RGEXLXHISA-N 554.363 4.517 10 10 KJCE CC[C@@H](NC(=O)Cc1nc(-c2cccc(OC)c2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866675603 IMYYHLWENVGPMT-HSZRJFAPSA-N 537.572 4.510 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867786186 QYTYNTOFLZCBJA-OFSOJUDTSA-N 578.758 4.893 10 10 KJCE CCc1ccc(Nc2nc(=NCc3ccc(F)cc3)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871583270 GYPFQQWFZPTVBS-UHFFFAOYSA-N 513.621 4.686 10 10 KJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(F)cc2)C1=O 1873167813 YPVUUUGTBPGYKW-UHFFFAOYSA-N 502.634 4.835 10 10 KJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1OC 1873168739 HXNVMAGZMZLKFT-UHFFFAOYSA-N 556.707 4.857 10 10 KJCE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C[C@@H]3CCCO3)C2=O)c1 1873419480 HDIYMQPIKMSDDL-VWLOTQADSA-N 513.594 4.642 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)SC(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)C2=O)cc1 2293880475 GCJFUQQEXGSLBF-UHFFFAOYSA-N 512.927 4.982 10 10 KJCE COc1ccc(NC(=O)Oc2ccc(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 2313875995 CTTYHKQGCBQVGV-SFHVURJKSA-N 500.598 4.695 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(Oc3ccccc3F)nc12 2314509731 YAHCPRRKHHYRPC-UHFFFAOYSA-N 527.599 4.781 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828841 NPCCHNFZUYVCPF-UNWVZKJWSA-N 572.774 4.909 10 10 KJCE COc1cc(/C=C2\C(=N)N3C=C(C)SC3=NC2=O)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 102464506 BVISKCYAKZEBLZ-PFOSVVTISA-N 503.989 4.592 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCC2=CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864010956 CNHFEJIKWHCIFZ-SANMLTNESA-N 514.626 4.661 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NCc1cccc(C)c1)[C@H]2c1ccc(O)c(O)c1 1864017721 SOGKNUPTCXWQKA-VWLOTQADSA-N 540.620 4.699 10 10 KJCE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)c1 1873425206 RSIFXUGKZKTCJY-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE N=C1C(=Cc2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 2296055591 ACYXADSEKYRPJQ-UHFFFAOYSA-N 503.971 4.860 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314828838 NPCCHNFZUYVCPF-IEIRFRATSA-N 572.774 4.909 10 10 KJCE C[C@@H](C(=O)O)N1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842378 SPKYMBNYEIFIET-NSHDSACASA-N 555.859 4.794 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C\c3cc(OC)c(OCCOc4ccc(C)cc4)c(OC)c3)C(=N)N12 101348297 FEYPJXXRMGMLNO-QLSUFNALSA-N 526.640 4.800 10 10 KJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1C 101430934 JHWJTIFZEDMCRO-BVZJYVBKSA-N 526.387 4.983 10 10 KJCE CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(C(C)C)C2=O)c(C)c(C#N)c1=O 110529478 NZXPTJZOMKAEJF-UQQQWYQISA-N 549.766 4.760 10 10 KJCE CCOc1c(OC)cccc1C1=C(O)C(=O)N(c2cc(OC)c(OC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526631804 DENQTRYLCRPWRX-DEOSSOPVSA-N 523.538 4.588 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)c3cccc4ccccc34)CC2)cc1 1862239970 MWLGUUDOSRHRFK-GDLZYMKVSA-N 511.597 4.677 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864018387 KEXDNCHEMXDQTB-QHCPKHFHSA-N 541.023 4.841 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865032522 FBPLFSJLOJLTRG-CLOONOSVSA-N 516.642 4.617 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCOc3ccccc31)=C(N)O2 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KJCE COc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1COc1ccc(NC(C)=O)cc1 33621339 QBSIRRDZRBBXQW-OEAKJJBVSA-N 503.486 4.878 10 10 KJCE CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2NCc2ccc(OC)cc2)SC1=S 40066631 LJDPLSLXTMAOTH-HMAPJEAMSA-N 510.685 4.968 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 96467387 WLZMFYIKYIOZFE-AKZCVUIYSA-N 521.599 4.531 10 10 KJCE CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 102678273 LWFLYNCMCYKZKE-XHLNEMQHSA-N 612.781 4.578 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(N3CCN(c4ccccc4F)CC3)nc12 103118546 QOIPSIJGALPDHN-HAVVHWLPSA-N 551.713 4.716 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)c1C 1084509468 LAIJYROXQGXBOL-QGOAFFKASA-N 527.375 4.631 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864008280 HKZMEVHBWSSKDU-HSZRJFAPSA-N 537.403 4.910 10 10 KJCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864011708 KEYHSKMVFSJDHX-RUZDIDTESA-N 520.605 4.714 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029272 JOFZIRXGBWXPMC-AREMUKBSSA-N 510.594 4.698 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)sc2c1CCCC2 1866005896 HOUDMBMPCGMPDN-LJQANCHMSA-N 530.643 4.769 10 10 KJCE CC(C)(C)c1ccc(-c2ccc(OCC(=O)N[C@H](CO)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2)cc1 1867039215 GHOSCNANWWPFAP-GDLZYMKVSA-N 576.649 4.921 10 10 KJCE CC(=O)Nc1cccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)c1 1867642234 HNHRWFYMYBXIFL-XZWHSSHBSA-N 541.696 4.526 10 10 KJCE CCCC[C@H](NC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867845784 QKEUELYSJUUWDP-RPLLCQBOSA-N 568.675 4.509 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867902349 BWXGFTLORQYQGA-ROJLCIKYSA-N 570.734 4.671 10 10 KJCE 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511.987 4.964 10 10 KJCE CC[C@H](NC(=O)[C@H](c1ccc(OC)c(OC)c1)C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866997708 TWICIFMCABKMRH-NVQXNPDNSA-N 528.605 4.752 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)c3ccc4oc(-c5ccc(C)cc5)nc4c3)C(C)C)CC2)cc1 1868787417 HXTGSHAKFWYDFS-NDEPHWFRSA-N 526.637 4.915 10 10 KJCE C[C@@H](O)Cn1cc(OCc2nc(O)c3ccccc3n2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870800804 RLEZLEJBROQATE-HXUWFJFHSA-N 523.593 4.813 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccc3c(c2)OCO3)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423487 ODMNBAXSKITODU-UHFFFAOYSA-N 514.626 4.747 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)c4ccc(Cl)cc4[N+](=O)[O-])c3)CC2)cc1 1874725853 RTGITASSABUZRQ-UHFFFAOYSA-N 522.989 4.904 10 10 KJCE O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)SC1=Cc1ccc(OS(=O)(=O)c2ccccc2)cc1 2296047997 ARUQEBLALNRZEH-UHFFFAOYSA-N 540.066 4.900 10 10 KJCE COc1cccc(OCCOc2ccc(C=C3C(=N)N4C=CSC4=NC3=O)cc2Br)c1 2297314534 AVVFAHQEERIPPY-UHFFFAOYSA-N 500.374 4.692 10 10 KJCE CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br 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O=C1N=C(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)SC1=Cc1ccc(OCc2ccccc2)cc1 2297576284 IDZFDRVAGQTRSL-UHFFFAOYSA-N 554.093 4.896 10 10 KJCE Cc1c(Cl)cccc1-c1ccc(C=C2C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)o1 2297578040 ZCJNWTHPNUOBFY-UHFFFAOYSA-N 509.893 4.904 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3cc(I)c(O[C@@H](C)CC)c(OC)c3)C2=O)c1 2313556407 ZHLCHJRFEAVBSV-HNNXBMFYSA-N 608.429 4.941 10 10 KJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)c1 2314817696 TXZMYGFROJXGSR-UHFFFAOYSA-N 510.616 4.652 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)C(C)=Cc3cccc(Cl)c3)CC2)cc1 2330121686 BSEFUSDMJHSOAW-MUUNZHRXSA-N 536.047 4.967 10 10 KJCE Cc1ccc(CN(C)C(=O)C2(COCc3ccccc3)CN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2381138823 YEJYFYMPHFAMQN-UHFFFAOYSA-N 533.463 4.875 10 10 KJCE CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CCOc4ccccc4OC)c4ccccc34)C2=O)cc1 2212529 VMHMWKHWQDMSIZ-HKOYGPOVSA-N 509.562 4.958 10 10 KJCE COc1ccc(-c2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5C)SC4=NC3=O)o2)c([N+](=O)[O-])c1 20238849 UZGWULNFBPYXGR-IKFXFJJLSA-N 517.523 4.870 10 10 KJCE O=C(O)COc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 59815339 NDABEEUDRWLTRU-LPYMAVHISA-N 555.033 4.929 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC[C@H]3C)nc12 100886135 QKYMYWBXRAGGGI-NEIHUHTASA-N 534.663 4.512 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(OCc4ccccc4)c3)SC2=S)cc1 101967665 DMPLZCPQDYQZBY-ULJHMMPZSA-N 567.714 4.533 10 10 KJCE CC(C)c1ccccc1OCCOc1ccc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1Cl 104560106 WUQSVZQRMWLGRH-JPXJQDSKSA-N 547.058 4.542 10 10 KJCE O=C1[C@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 104906249 MJWQMDAPCMJKCR-BPWIBHAJSA-N 517.459 4.741 10 10 KJCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](Cc2c[nH]c4ccccc24)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 251999577 LXCSJHFRKPGXRU-TUAOVVRQSA-N 588.458 4.715 10 10 KJCE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014440 VFBKBQZZKXKVIJ-RUZDIDTESA-N 540.620 4.816 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCCc4ccccc42)[C@@H]3c2ccc(O)c(O)c2)c1 1865027332 GYWAGVMIQXBYKK-MUUNZHRXSA-N 536.632 4.942 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@H]3c3ccccc3)cccc21 1867059848 XMKXKZSGUKFRPU-REUBFRLUSA-N 514.581 4.932 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(-c2cccc(OC)c2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867145583 JJHVMWVTKXSKEI-SSEXGKCCSA-N 523.545 4.663 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867730412 JXMGNPAGDZAQCA-BIMVPBQRSA-N 613.734 4.934 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)N2CCCCC2)cc1 1867795973 AWGHUNYGTWTPIW-IHLOFXLRSA-N 572.710 4.541 10 10 KJCE Cc1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875102 QHVHDMFYCIIJHZ-JDXGNMNLSA-N 557.695 4.654 10 10 KJCE Cc1ccc(NC(=O)c2c3c(n4ccccc24)C(=O)c2ccccc2C3=O)c(I)c1 1874020732 FXNAKORDHUCYGN-UHFFFAOYSA-N 506.299 4.880 10 10 KJCE Oc1ccc(CNc2cc(Br)c(I)c(Br)c2)c(O)c1O 2151781151 YUFJIXUNDCDNNB-UHFFFAOYSA-N 514.939 4.545 10 10 KJCE COc1ccc(OCCOc2c(Br)cc(C=C3SC(=S)N(C)C3=O)cc2OC)cc1 2293117079 UTAXYOXCIVELBF-UHFFFAOYSA-N 510.431 4.755 10 10 KJCE Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 2293161041 XCRGQXUONKPDEG-UHFFFAOYSA-N 547.456 4.800 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 2297302254 XWTVPWJZEIFLNI-UHFFFAOYSA-N 514.534 4.762 10 10 KJCE CCCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(CCc4ccccc4)C3=O)o2)ccc1Cl 2313549156 OJYAXVBQPOKFCD-UHFFFAOYSA-N 506.942 4.871 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3c(C)nc4ccccn34)SC2=S)cc1OC 2323679985 VLKQSRMCDNXHMU-SFHVURJKSA-N 511.625 4.857 10 10 KJCE COc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1 15039794 JQAIDIRUAAIFME-PDGQHHTCSA-N 507.431 4.783 10 10 KJCE COc1ccccc1N1CCN(c2cc(N3CCN(C(=O)c4ccco4)CC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 29749482 ZRVHJXXWWOFZLZ-UHFFFAOYSA-N 589.652 4.930 10 10 KJCE Cc1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(S(N)(=O)=O)cc4)N=C3C(F)(F)F)o2)cc1Cl 34702317 VLGVDEQKTSMAEQ-GZTJUZNOSA-N 509.893 4.904 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(NCc4ccco4)nc4ccc(C)cn4c3=O)SC2=S)cc1 35300171 LYPKNFZNINIUPJ-CIAFOILYSA-N 518.620 4.618 10 10 KJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S 101969602 JEXUIENXZSQBLY-JXAWBTAJSA-N 543.505 4.678 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 103789857 ALHGPBIUMIJGAX-RGFRMHDHSA-N 547.721 4.777 10 10 KJCE Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1 213197621 UJWHCKRYTRSLIY-LZAZYHHXSA-N 507.637 4.792 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc(C)cc1 1083962278 ZUQKMOGOBDCYPK-JAIQZWGSSA-N 586.357 4.993 10 10 KJCE Cc1cc2occ([C@@H]3N[C@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)O)[C@H]4C(=O)N(Cc5ccc6c(c5)C(=O)c5ccccc5C6=O)C(=O)[C@@H]43)c(=O)c2cc1Cl 1088595088 IPYBHBSNPQUELV-QSEKVJNNSA-N 732.101 4.950 10 10 KJCE CCCC[C@H](NC(=O)CCCOc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862232857 YTCSRMILHJQBGL-VWLOTQADSA-N 502.055 4.531 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)NC(=O)c3cc(Cl)ccc3Cl)CC2)cc1 1862259847 RIMIWVLHKQWFOF-RUZDIDTESA-N 512.437 4.692 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864013014 OBSMRFWQSRKFOZ-RUZDIDTESA-N 534.632 4.968 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013042 ORVJGWTYECDLKI-RUZDIDTESA-N 516.642 4.665 10 10 KJCE NC1=C(C(=O)NC2CCCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015643 UGOREFPDSLRLIC-HXUWFJFHSA-N 528.531 4.836 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864017528 OIGQIICUBUKYJC-DEOSSOPVSA-N 547.011 4.519 10 10 KJCE Cc1cc(Br)c(NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c(C(=O)O)c1 1865876888 JXYGEDDJSNQIMG-UHFFFAOYSA-N 507.340 4.547 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 1867975720 JFDSVECUGACARM-UHFFFAOYSA-N 507.082 4.744 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)c3ccccc3)CC2)cc1 1868914461 MFEPJFMGBNVKAX-HKBQPEDESA-N 552.675 4.821 10 10 KJCE CC[C@H](CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868960478 CQNKXULMZCWUQO-LJQANCHMSA-N 546.506 4.594 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(OC)c(F)c4)cn3CC(C)C)CC2)cc1 1870381540 SENAWKGICUIONA-UHFFFAOYSA-N 509.622 4.562 10 10 KJCE CCOc1ccc(CCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3CCOC)cc1OCC 1875226937 IBLBHVGGTGAKIC-UHFFFAOYSA-N 602.736 4.501 10 10 KJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 2297452602 YEFXACDZAQEKCV-UHFFFAOYSA-N 503.356 4.626 10 10 KJCE CC(C)c1ccc(OCCOc2ccc(C=C3C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2Cl)cc1 2297499209 FVOJBAXQXOKIJZ-UHFFFAOYSA-N 547.058 4.542 10 10 KJCE CC[C@@H](NC(=O)C=Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 2331165259 QPKMGZJJDMMZMM-GDLZYMKVSA-N 513.638 4.531 10 10 KJCE COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)NCC(C)C)c4)n3)CC2)cc1 36053859 OEGZDCNPSAGJPZ-UHFFFAOYSA-N 505.688 4.798 10 10 KJCE CCN(CC)c1ccc(CN(CC2CC2)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 96290641 UPTYOKDIPALAHL-UHFFFAOYSA-N 527.687 4.798 10 10 KJCE CCN(CC)c1ccc(CN(CCOC)C(=O)c2cccc(F)c2)c(OS(=O)(=O)c2ccc(OC)cc2)c1 98010788 GTRWDKHSZBPEJU-UHFFFAOYSA-N 544.645 4.737 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(c5ccccc5F)CC4)nc4ccccn4c3=O)SC2=S)cc1 100860380 YFDILPWUXLDYLR-XIEYBQDHSA-N 587.702 4.570 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC 103859345 BGRXCVBADRBYOI-DHDCSXOGSA-N 585.192 4.518 10 10 KJCE CCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)cc1 1084473674 BTOZMFVXWVMGNF-MTJSOVHGSA-N 507.999 4.839 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)sc(C)c1-c1ccc(OCC)cc1 1860762918 WLFJGMIODNOFLL-UHFFFAOYSA-N 515.676 4.663 10 10 KJCE CN(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867884951 DQWQLMZMTYHMAX-FIRIVFDPSA-N 541.740 4.503 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CCSC)NC(=O)C[C@@H](c3ccc(F)c(C)c3)C(C)C)CC2)cc1 1868711580 PSNFVLMOJYJQBP-VPUSJEBWSA-N 529.722 4.859 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCc5ccc(OC)c(OC)c5)ncnc4n3CC(C)C)CC2)cc1 1875208561 OZPSRHPANJVAEG-UHFFFAOYSA-N 558.683 4.688 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCCOc1ccccc1 2293131247 SCKWKCJPQGWZDI-UHFFFAOYSA-N 506.942 4.781 10 10 KJCE O=C1C(=Cc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc3ccccn3c2=O)SC(=S)N1Cc1ccccc1Cl 2314399248 AZGRSPBNZZSIPX-UHFFFAOYSA-N 632.167 4.800 10 10 KJCE O=C1/C(=C\c2c(NCCc3ccccc3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 33389503 PNDRZIXOJWHEMM-FCDQGJHFSA-N 512.660 4.793 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 100860309 ZUVIZIHXJRLQNP-NLRVBDNBSA-N 601.729 4.879 10 10 KJCE COC(=O)COc1cc(Br)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 106982150 WPSGEISPTHHMTG-DJKKODMXSA-N 522.442 4.719 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@H]2c2ccc(O)c(O)c2)ccc1OC 526511638 SBWPXDAALNNPKL-SANMLTNESA-N 504.539 4.829 10 10 KJCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC(c1ccccc1)c1ccccc1)=C(N)O2 1864013901 ILKVZTRSNGESIU-VWLOTQADSA-N 524.621 4.867 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccc(Cl)cc3)c2O1 1864016705 VVSGTQICRHADCV-QHCPKHFHSA-N 528.996 4.636 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017636 QRZCHGDLPJUEIR-DEOSSOPVSA-N 502.615 4.688 10 10 KJCE CCCn1cc(OCCCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870316313 PNYKFUNQYSGQMR-UHFFFAOYSA-N 505.659 4.827 10 10 KJCE O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)SC1=Cc1ccccc1OS(=O)(=O)c1ccccc1 2296065469 DALRZBBXLKECJX-UHFFFAOYSA-N 540.066 4.900 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCN2C(=O)C(=Cc3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314829205 RHZMCJAAMPJTRQ-BSIFCXSSSA-N 579.165 4.864 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(Cc4ccco4)C3=O)c2C)sc2c1CCCC2 2178555 ZLVMLYPLHSNPKH-DEDYPNTBSA-N 537.663 4.631 10 10 KJCE COC(=O)CC[C@H]1CN(Cc2c(O)ccc3ccccc23)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 11998843 NKNPZMGXZRJLLY-WNCULLNHSA-N 518.654 4.765 10 10 KJCE CCN(CC)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2Cl)c(OS(=O)(=O)CC)c1 36009271 BMVVOFMICJTEDI-NRFANRHFSA-N 509.068 4.736 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3C[C@H](C)O[C@@H](C)C3)nc12 100851197 DOPIWLIWSZOKKD-LXGRAFHKSA-N 541.098 4.671 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1ccc(C)cc1 102469685 AOIVGHNHJSYKKM-CGVBMLBPSA-N 527.606 4.914 10 10 KJCE COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(\C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 205969071 FOEMIMIJNZRDGL-LHLOQNFPSA-N 554.632 4.731 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)sc(C)c1-c1ccc(Br)cc1 1860758575 OTEFQZVBHQTHQE-UHFFFAOYSA-N 575.481 4.977 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864010407 MFNZYCFBOJMZBH-VWLOTQADSA-N 510.594 4.555 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015252 NFPVOHSPSVXUIG-GOSISDBHSA-N 536.938 4.813 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(Cl)cc1)=C(N)O2 1864016931 ALSAXYVSZAMCDF-XMMPIXPASA-N 531.012 4.553 10 10 KJCE CCCCOCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864017460 MTFRLYBAERBZAR-HSZRJFAPSA-N 541.048 4.517 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864019472 ZQUPCYKCMHRYQI-WONHAXNMSA-N 537.060 4.948 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864022322 LSEAXYUPIFMMFK-RUZDIDTESA-N 540.620 4.878 10 10 KJCE CC1CCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)CC1 1865031523 ISWDGUMVUDFSGL-VWLOTQADSA-N 522.605 4.904 10 10 KJCE CSCC[C@H](NC(=O)c1cc(-c2ccc(C)c(C)c2)n(C)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866830280 ZRUSMHSBGTZJNX-VWLOTQADSA-N 566.683 4.970 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccccc3)c3cccc(F)c3)C(C)C)CC2)cc1 1868720468 RSDIONOOAGZPHX-JDXGNMNLSA-N 517.645 4.846 10 10 KJCE Nc1ccc(NC(=O)Nc2c(I)cc(I)cc2I)cc1 2191503165 OEUQKHPIISOERV-UHFFFAOYSA-N 604.955 4.727 10 10 KJCE COC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101737429 CFLOYOFSKVRNDR-QFVBLGFASA-N 619.559 4.965 10 10 KJCE COc1ccccc1OCCOc1c(OC)cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc1OC 104484635 OUAKPCMZVWXXEU-HSVRYATOSA-N 556.666 4.888 10 10 KJCE COC(=O)c1cc(N/C(C)=C2/C(=O)N(c3ccc(F)cc3)N=C2c2ccc(OC)cc2)cc(C(=O)OC)c1 205970184 JHZJLFSDIJUKHQ-LFVJCYFKSA-N 517.513 4.545 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1 526627216 SZYYPIMEJGYZBK-XMMPIXPASA-N 525.941 4.541 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccc2c(c1)OCO2 1084068497 RYAHGZKFPIRHLL-MFOYZWKCSA-N 646.434 4.968 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)sc(C)c1-c1ccc(Cl)cc1 1860758426 GMDCCSINWZJDRH-UHFFFAOYSA-N 506.068 4.918 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029857 WPVBJWUTWKALJZ-QHCPKHFHSA-N 523.033 4.843 10 10 KJCE NC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3cccc(Cl)c3)c2O1 1865031196 BHEPWCRMOUYDMA-GOSISDBHSA-N 534.922 4.663 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035101 LCTQXXLRGVDBDR-MWTRTKDXSA-N 523.033 4.654 10 10 KJCE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccc21 1867204370 NRZWEBOQFMILMH-MHZLTWQESA-N 571.633 4.696 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867446630 GQCYWSBSFAVGEY-IOWSJCHKSA-N 653.780 4.519 10 10 KJCE CCCN1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3Cl)n2)CC1 1867979315 MCYQDLDMSUEVSO-UHFFFAOYSA-N 507.082 4.664 10 10 KJCE CC[C@@H](C(=O)N[C@H](Cc1ccc(OC(C)=O)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868836679 JJLDIWYGLAQJEX-LOYHVIPDSA-N 578.109 4.844 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@H]4C(C)C)nc(Cc4ccccc4)n3)CC2)cc1 1869087289 ZLDOHEBGEUXXQI-WJOKGBTCSA-N 523.685 4.886 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3OCC(C)C)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425560 FUHOVJNHLQCMFO-UHFFFAOYSA-N 542.680 4.653 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(F)cc4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296732323 VJZFAKONGPIXJR-UHFFFAOYSA-N 551.713 4.860 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCCCC3)nc12 2314399997 HAPCGDWPGYPUKB-UHFFFAOYSA-N 534.663 4.513 10 10 KJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 2314754924 IQRJYOFLBFKQJF-UHFFFAOYSA-N 536.716 4.657 10 10 KJCE Cc1c(N2C(=O)/C(=C\c3c(Oc4ccccc4F)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 101061832 OJVZFMGRUBZMJP-CJLVFECKSA-N 585.642 4.830 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)cc1 102779032 AHYRATQCEWOGTP-BIWBSIMWSA-N 606.542 4.977 10 10 KJCE CCN(CC)c1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)c(O)c1 103818651 RIOMJVXATUAHHU-JLHDDXNDSA-N 537.685 4.879 10 10 KJCE COc1cccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4cccc(Cl)c4Cl)C(=O)[C@@H]23)c1 104628656 UTUBFIVYODGEMT-RZUBCFFCSA-N 522.340 4.697 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@@H]2c2ccc(O)c(O)c2)c1 1864010736 BEGSZHAUUOKTLC-SANMLTNESA-N 545.039 4.932 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864014356 SPYZRCXYCKHYMX-JOCHJYFZSA-N 516.985 4.823 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864019581 MTQRSMMNZIMNBO-VWLOTQADSA-N 545.039 4.878 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)N2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865032232 YPEQPBUVDWIRLQ-RUZDIDTESA-N 522.605 4.635 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1865033556 CJQDCAOPNKCXMP-GOSISDBHSA-N 536.938 4.578 10 10 KJCE NC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3cccc(F)c3)c2O1 1865034228 RTDSSDOCZLFPKW-FQEVSTJZSA-N 546.521 4.598 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(-c5ccccc5)nn4C)[C@H]3c3sccc3C)CC2)cc1 1865339790 JUBQQUWZSFZUKY-HSZRJFAPSA-N 541.677 4.509 10 10 KJCE COC(=O)c1c(NC(=O)CCc2cnc(N(C)C)nc2)sc(C)c1-c1ccc(Br)cc1 1866154447 YWCXVFAWTVLOLQ-UHFFFAOYSA-N 503.422 4.700 10 10 KJCE CC[C@@](C)(NC(=O)c1n[nH]c(C)c1-c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867280965 MRKYTKXYSTVYPK-SSEXGKCCSA-N 506.562 4.698 10 10 KJCE CSCC[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867933469 OFGPECWPWNJBBS-RPWUZVMVSA-N 535.129 4.740 10 10 KJCE CC[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(Cl)cc1 1868837550 PXNZDAAWTSAKDT-NSOVKSMOSA-N 520.073 4.919 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)C(C)C)CC2)cc1 1869018901 SGBXHPQSXTUTQA-AKGWNBJDSA-N 577.697 4.863 10 10 KJCE CCCCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C(=O)NC2=S)cc1 2294244446 JUXOEWUQPKOOTE-UHFFFAOYSA-N 501.608 4.966 10 10 KJCE CCOc1cc(C=C2C(=O)N(c3ccccn3)N=C2c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 2332139830 XMRFHHQDQJNEHD-UHFFFAOYSA-N 528.609 4.571 10 10 KJCE O=C1C[C@@H](c2ccccc2)Oc2c(Cc3cccc(O)c3O)c(O)c(Cc3cccc(O)c3O)c(O)c21 31167280 WNGIBTXFKBGNIR-QHCPKHFHSA-N 500.503 4.808 10 10 KJCE biogenic CCCN1C(=O)/C(=C\c2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 33924238 UFNFSURVZXPBLD-RELWKKBWSA-N 504.681 4.765 10 10 KJCE O=C1/C(=C\c2ccccc2Cl)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O 100468639 WNARKUGZRWSZEY-RCCKNPSSSA-N 569.016 4.821 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NC3CCCCC3)nc12 100886013 JMHQHXKQJMWYHQ-HAVVHWLPSA-N 586.743 4.951 10 10 KJCE C[C@H](C(=O)NCc1ccccc1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101054959 JFJKYBURLUTXBE-OUZNOSRWSA-N 556.301 4.823 10 10 KJCE C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101970996 WGQYTKJWKFMJRC-KLLFSAEGSA-N 558.273 4.851 10 10 KJCE CCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110523257 CCMUUEPLPBSPPJ-ULJHMMPZSA-N 553.729 4.905 10 10 KJCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864011235 DTBNBLKEQZZRTJ-WTQBOQAGSA-N 544.627 4.570 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865031449 HDYZUFAOPCRJEV-XMMPIXPASA-N 528.584 4.712 10 10 KJCE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865034312 TUTDSNDANYGOPY-VLIAUNLRSA-N 546.521 4.596 10 10 KJCE O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)on1 1866642398 YPRZXGMIEKVGOE-QHCPKHFHSA-N 531.524 4.690 10 10 KJCE CCCC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866886340 LGTFIXZPUSRSTO-DEOSSOPVSA-N 567.063 4.593 10 10 KJCE CSCC[C@H](NC(=O)c1sc(C)nc1C(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867157213 RXTQVDFSVNQTNI-FQEVSTJZSA-N 521.664 4.841 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867578849 PRDHQNGXCSDERF-CLTPBEKXSA-N 609.771 4.962 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)CCc3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1868916663 ONIZEIQJGNIWFX-NDEPHWFRSA-N 572.706 4.967 10 10 KJCE CCN(CC)CCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873167517 KYLKJXDRAJTZOM-UHFFFAOYSA-N 538.696 4.962 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873421904 WPPPSCHQFYFLJJ-UHFFFAOYSA-N 555.656 4.769 10 10 KJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 20900492 CTBVCEFCJWMANU-UHFFFAOYSA-N 500.511 4.564 10 10 KJCE COc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 100314939 XTTLSZFVSLTGFN-STZFKDTASA-N 542.616 4.773 10 10 KJCE CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N(CC)CC)c2)SC1=S 101013509 NFVCMFDWUSWMJR-JWGURIENSA-N 526.709 4.791 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1ccccc1F 103240167 WLWMYIIBGNSDNT-BOGPXGDOSA-N 535.944 4.769 10 10 KJCE COc1ccccc1OCCOc1c(Br)cc(/C=C2\C(=N)N3C(SC)=NSC3=NC2=O)cc1OC 104484772 CWVCVCNQMZVIPM-UNWMBJBYSA-N 577.482 4.864 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526350896 GAHAFDWVTJEULW-VWLOTQADSA-N 505.523 4.739 10 10 KJCE Cc1ccc(CCNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864007367 LIUKELIBAHASEN-VWLOTQADSA-N 531.012 4.607 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864009539 AETCOAKBNBVTRB-SANMLTNESA-N 524.621 4.598 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865028369 SVCXJEGPVJTIGC-VWLOTQADSA-N 504.631 4.774 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865032622 HCKAUJNBAJBLDZ-INDAOCBNSA-N 528.653 4.968 10 10 KJCE COC(=O)c1c(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)sc(C)c1-c1ccccc1 1866094389 AVDGRFSMBHCWNW-UHFFFAOYSA-N 527.396 4.897 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@@H](c3cccc(Br)c3)c3nccs3)CC2)cc1 1868870848 MGHLVHFIUFWYIF-QHCPKHFHSA-N 571.541 4.680 10 10 KJCE CC[C@@H](C)NC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870960398 PZSYQZUQWYUMFH-JOCHJYFZSA-N 506.647 4.660 10 10 KJCE COC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873424660 HUIMKHCMNGAQCD-UHFFFAOYSA-N 540.664 4.949 10 10 KJCE CCC(=CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccc(OC)cc1 2329523931 LRVLQWWEZFPNRS-SSEXGKCCSA-N 527.665 4.574 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)c(Br)cc1O 59198252 RKBGENUQOJAQGL-QPEQYQDCSA-N 510.138 4.823 10 10 KJCE CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OCc2ccccc2)=C(C)N=3)cc1 102839105 VRZOHTGCBVVELG-WHNPURCTSA-N 543.714 4.886 10 10 KJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 213167919 OJRZRSVDVRBGIB-QNGOZBTKSA-N 501.589 4.897 10 10 KJCE COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccc(F)cc5)c4C)c(=O)n32)cc1 252675915 VKXATEHDWXRLFD-NDEPHWFRSA-N 559.663 4.742 10 10 KJCE COC(=O)c1ccccc1N1C(=O)C(O)=C(c2cc(Cl)c(OC)c(OC)c2)[C@@H]1c1ccc(O)c(O)c1 526483208 UZCXXTDDONMAHL-QFIPXVFZSA-N 511.914 4.612 10 10 KJCE Cc1cc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc([N+](=O)[O-])c1C 1083887385 VZMFDTFKWZTMKU-WQRHYEAKSA-N 510.300 4.901 10 10 KJCE CCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017063 DNCMKZOVZZXTOX-XMMPIXPASA-N 532.641 4.914 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCOc3ccccc31)[C@H]2c1ccc(O)c(O)c1 1865031419 GKJKYAICCMSGHR-VWLOTQADSA-N 538.604 4.738 10 10 KJCE 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CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013602 YECUIBJPIGKQJH-QRQCRPRQSA-N 511.022 4.558 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865030471 KKBCRBNZDFYYQY-VWLOTQADSA-N 516.642 4.619 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865034990 IPCIMJODDJDKRG-DEOSSOPVSA-N 520.605 4.530 10 10 KJCE CCC[C@@H](NC(=O)c1sc(CNC(=O)OC(C)(C)C)nc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867080434 VQHWAJDONSFICI-OAQYLSRUSA-N 576.675 4.789 10 10 KJCE CSCC[C@H](NC(=O)c1cccc(OCC(C)C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867709461 VDMOOEAXAMRIET-VMPREFPWSA-N 554.801 4.982 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867924520 DAFDIYQSLQFCOB-HEVIKAOCSA-N 647.776 4.826 10 10 KJCE CC[C@@H](NC(=O)C[C@H](c1ccccc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868726065 ZOPGBKQUFNCJKT-VSGBNLITSA-N 503.618 4.600 10 10 KJCE O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 2297453081 WRJCUIVJVIKXQY-UHFFFAOYSA-N 561.049 4.511 10 10 KJCE CC(C)N1C(=O)c2ccc(-c3ccc(C=C4C(=O)N(c5cccc(C(=O)O)c5)N=C4C(F)(F)F)o3)cc2C1=O 2297561044 HJMWIBWSBUXWSR-UHFFFAOYSA-N 537.450 4.998 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(Oc3ccccc3Cl)nc12 2314506865 GIVSCEDZKZWSHZ-HNNXBMFYSA-N 514.028 4.829 10 10 KJCE O=C(O)CCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 2314842277 LQZPSBUTUJGAIU-UHFFFAOYSA-N 555.859 4.796 10 10 KJCE COCCCN1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S 39835953 MPBSSHZQCNSHOT-QGOAFFKASA-N 502.017 4.686 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCc4ccccc4C3)nc12 110552945 PANUSXIOLFDHHP-ITYLOYPMSA-N 620.760 4.769 10 10 KJCE O=C1[C@@H]2[C@@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccc(Cl)cc1 247715407 NCNTTWVNAICPFR-PCCBWWKXSA-N 536.765 4.798 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(I)c1 1083911201 QARMIYFWYFMVQP-ATVHPVEESA-N 558.372 4.841 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccc4c(c3)OCCO4)SC2=S)cc1OC 1858588317 YQDOKXZYBHVBAX-ORWNMUSCSA-N 515.609 4.672 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C(=O)OC)c2)sc(C)c1-c1ccc(OCC)cc1 1860748281 WDBJPABARIARNC-UHFFFAOYSA-N 510.568 4.663 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)N[C@H](C)c3ccccc3)c2C(=O)OC)cc1 1860763858 ORIRHIUDRIRQLQ-GOSISDBHSA-N 551.665 4.573 10 10 KJCE Cc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864009239 CRQCMMLJGFLAET-WGDIFIGCSA-N 516.642 4.710 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)c1 1864015395 QHMWTPOSZNXMKE-OAQYLSRUSA-N 536.510 4.622 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864019715 PQKLXWBAUHVEBA-SIBVEZHUSA-N 524.621 4.785 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867345548 LEESJUPQIBEHAR-IOWSJCHKSA-N 574.697 4.502 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(N(C)C)CC4)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1867982047 USXZOORIKNDPLO-UHFFFAOYSA-N 507.082 4.663 10 10 KJCE COC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N)cc1)c1csc(-c2cccs2)n1 2086903829 HPDZTKFDTSLWCF-LEWJYISDSA-N 506.653 4.821 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@H]1c1ccccc1OC 100619055 FGEAHRQBHAZGIF-CBPRFPNYSA-N 597.737 4.799 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084547594 FJMAYNGDHLLZND-NDENLUEZSA-N 567.417 4.566 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864008866 UERCYLDAMBXPDT-BWKNWUBXSA-N 504.631 4.821 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)c1 1864016256 KQGWRVBYLXMFAJ-AREMUKBSSA-N 545.599 4.665 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864017693 RWYOZTFHDXRBJD-SANMLTNESA-N 548.599 4.943 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865035280 PXRRLSSSPBWVDD-HJPURHCSSA-N 523.033 4.512 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N2CCCCC2)cc1 1867746533 FSFAYQDSJPNAPR-NOCHOARKSA-N 696.314 4.971 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(Cc3nc4ccccc4[nH]3)C2=O)cc1 1873164887 XHLUUTZZUICOBX-UHFFFAOYSA-N 531.616 4.919 10 10 KJCE CC(C)OC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCn2c-3nc3ccccc3c2=O)cc1 1873979778 PWSRGZLIILFLOV-UHFFFAOYSA-N 506.562 4.778 10 10 KJCE CN(C)c1ccc(C=C2N=C(SCn3nnc4ccccc4c3=O)N(c3ccc(OC(F)F)cc3)C2=O)cc1 2042438468 JFRISURKSLSRQD-UHFFFAOYSA-N 548.575 4.594 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C(=O)N=C2S1 2297347317 GCCTWLSZRYSUPR-UHFFFAOYSA-N 521.599 4.531 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 2314408602 OUEFIJRRSHSFIX-UHFFFAOYSA-N 571.703 4.870 10 10 KJCE O=C(CCCN1C(=O)C(=Cc2ccc(Br)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1 2314831688 PWZYLWBRALMSMT-UHFFFAOYSA-N 506.403 4.977 10 10 KJCE COc1cc(C=C2C(=O)N(Cc3cccc(Cl)c3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 2332105273 ONQVRPNIPRGMAY-UHFFFAOYSA-N 532.040 4.890 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 33353462 FMPYQURAUHEEPG-ALUWMOPFSA-N 681.552 4.848 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Br)c1 100444572 SJZJAFPPQWCJBW-ODLFYWEKSA-N 539.313 4.532 10 10 KJCE CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 100746630 FSOIXRXMPZUADM-AHQATDLNSA-N 555.700 4.806 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 101967661 KLHPQGYSMKQOBB-QJOMJCCJSA-N 553.687 4.746 10 10 KJCE O=C(COC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 102922811 JZNCAXAXMOYQCD-QINSGFPZSA-N 554.562 4.905 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526625393 RBVSJLJFUPWDEG-MHZLTWQESA-N 502.567 4.543 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc(Br)c1O 1084160158 OIOGPPKVUNJMFN-QPEQYQDCSA-N 538.192 4.599 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861861079 PTRJZGQWSMIFLZ-UHFFFAOYSA-N 500.510 4.553 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865026973 UYBWJDATOAOSGV-QHCPKHFHSA-N 511.022 4.648 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3CCCN3Cc3ccccc3F)cccc21 1866919667 SAFZWQYGFBPKSR-IHLOFXLRSA-N 591.639 4.637 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2F)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867855085 GMZCPMBWZDLFLU-FIRIVFDPSA-N 574.697 4.502 10 10 KJCE CCC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867931585 RBVPMWQUHWQNLJ-ZEQRLZLVSA-N 503.062 4.787 10 10 KJCE COc1ccc(N2CCN(c3cc(N(CCN4CCN(C)CC4)c4ccccc4Cl)nc(-c4cccnc4)n3)CC2)cc1 1869373799 SCHSJEYGZBKSEJ-UHFFFAOYSA-N 599.183 4.913 10 10 KJCE CNC(=O)COc1cn(CCc2ccc(F)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1871016196 VICNUCWQAYDWIJ-UHFFFAOYSA-N 500.574 4.711 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OC(=O)c1cccc(C)c1 2297499613 PNQXMUOFRWNEQT-UHFFFAOYSA-N 531.981 4.939 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 2297500058 HWTVKVGTJSNBQB-FQEVSTJZSA-N 500.551 4.684 10 10 KJCE CCc1ccc(C(C)=CC(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 2329489889 TYUKCMSTECIVLQ-SSEXGKCCSA-N 529.656 4.876 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 2533108 LLMPRKCXBTXIOT-WCWDXBQESA-N 533.606 4.591 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1cccc(OC)c1 101450870 AIAYRTMFCKYDDZ-HZHRSRAPSA-N 536.968 4.872 10 10 KJCE COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 106728107 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548.715 4.710 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1OCC 252667078 CPISGRWQSXWHTE-SSEXGKCCSA-N 613.736 4.781 10 10 KJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c1 526567272 NSQRIAICOKHPMP-RUZDIDTESA-N 504.539 4.767 10 10 KJCE Cc1cccc(C)c1OCC(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860558160 QCPHDHOMIZPKIZ-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCOc2ccc(OC)cc2)sc(C)c1-c1ccc(Cl)cc1 1860759571 XGKNWWVTYIJRMM-UHFFFAOYSA-N 517.003 4.696 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012234 VEUVSKCZYLCHAZ-DEOSSOPVSA-N 523.033 4.838 10 10 KJCE NC1=C(C(=O)NC2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3)c2O1 1864015642 UGOREFPDSLRLIC-FQEVSTJZSA-N 528.531 4.836 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCC1=CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016545 RXDIJRJFDXMMAJ-QHCPKHFHSA-N 500.599 4.683 10 10 KJCE 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582.773 4.947 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 104882023 WTAKKZZDOMDXKT-JLPGSUDCSA-N 565.493 4.525 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccc(Br)cc4)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252668972 GBUVQIJDJWMJPO-AREMUKBSSA-N 592.515 4.887 10 10 KJCE COc1ccc(OC)c(C2=C(O)C(=O)N(c3cc(OC)c(Cl)cc3OC)[C@@H]2c2ccc(O)c(O)c2)c1 526142449 QGJHNRMUIRALEQ-XMMPIXPASA-N 513.930 4.843 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)ccc1OC 526158276 QKQDYLYWUNCFOS-MHZLTWQESA-N 502.567 4.988 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H](C)C2)=C(N)O3)cc1 1865032959 ORWKLHPRCCIETJ-KOSHJBKYSA-N 532.641 4.579 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865568639 YHYOIBDAQGUCJN-NDEPHWFRSA-N 549.675 4.795 10 10 KJCE Cc1ccc(-n2nc(C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c(=O)cc2C)cc1Cl 1866288073 HVIJLYSWNPLHBW-RUZDIDTESA-N 508.066 4.526 10 10 KJCE 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COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)cc1Cl 1084361526 NVTRQMJLMWCKDS-BOPFTXTBSA-N 529.730 4.816 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1Cl 1084553981 YRXFWXGUTOOOCA-LSCVHKIXSA-N 541.343 4.976 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@H]2c1ccc(O)c(O)c1 1864016561 SJYRRSDYDZVGBY-QHCPKHFHSA-N 514.557 4.521 10 10 KJCE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1 1867482747 CUFVYRRMVHOERQ-QXNWPYRLSA-N 595.744 4.632 10 10 KJCE CCCC[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867786184 QYTYNTOFLZCBJA-BHBYDHKZSA-N 578.758 4.893 10 10 KJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(OC)cc1 2293215255 QZACSTMIQJKDOA-UHFFFAOYSA-N 553.409 4.776 10 10 KJCE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCc1ccc(F)cc1 2313538631 WAKYJFRVGNKAOG-UHFFFAOYSA-N 501.342 4.507 10 10 KJCE CCOc1ccc(C=CC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 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CCOC(=O)CN(N=Nc1ccc(I)cc1)c1ccc(I)cc1 1084312713 ZJSNPUBDTRIEOL-UHFFFAOYSA-N 535.123 4.964 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861862687 QJLRTPALCYEMOT-UHFFFAOYSA-N 508.983 4.542 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864010010 HULQAZUPCPRUNF-NRFANRHFSA-N 541.446 4.609 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013484 XJFBAULWHWMLMT-HSZRJFAPSA-N 523.033 4.702 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030826 RUCISYKNHTVYIO-OSPHWJPCSA-N 537.060 4.902 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867884583 XZOUHCFJKLPZAY-NOZRDPDXSA-N 562.136 4.509 10 10 KJCE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873421308 QPZBLRKUSBALQT-UHFFFAOYSA-N 559.663 4.904 10 10 KJCE CCOc1cc(C=C2C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OCCOc1ccccc1OC 2297341013 COGVQXZGTPMJBT-UHFFFAOYSA-N 526.640 4.881 10 10 KJCE CCSC1=NSC2=NC(=O)C(=Cc3cc(Br)c(OC(=O)c4ccco4)c(OC)c3)C(=N)N12 2297341073 PORBMXOIZQKGCA-UHFFFAOYSA-N 535.401 4.600 10 10 KJCE Cc1cccc(NC(=O)Cn2cc(C=C3C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 2313560546 XHKIAXDPTANUEW-UHFFFAOYSA-N 512.566 4.559 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 2314414585 DVBDCWZICCRECC-UHFFFAOYSA-N 663.829 4.529 10 10 KJCE CCN(CC)c1ccc(CN(CCOC)C(=O)NC(C)C)c(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 103418257 QTIMOAKOPYRIMA-UHFFFAOYSA-N 545.624 4.886 10 10 KJCE Cc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@H]3C2=O)c(Br)c1 248342413 YEJMIYQJMOJDAP-YTFSRNRJSA-N 530.374 4.761 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 1084373659 GVJJAQBQTINPFK-GRSHGNNSSA-N 543.320 4.981 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015452 RNSPGRFKLRBKCO-INIZCTEOSA-N 543.329 4.830 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865032905 NRIXGRVMHXYPJH-LNPFQXMTSA-N 523.033 4.698 10 10 KJCE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1-c1ccccc1 1866832413 AUDXPPDKWNRYAP-MUUNZHRXSA-N 554.606 4.936 10 10 KJCE CCOc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867537014 MXQMWTHCDPFECE-IOWSJCHKSA-N 558.723 4.541 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762533 MFCFLGYWCZSXRN-WDYNHAJCSA-N 515.702 4.785 10 10 KJCE CC(C)Cn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870990011 YMURGKMVOUEDOZ-HHHXNRCGSA-N 518.658 4.876 10 10 KJCE COc1ccc(OCCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3Cc2ccccc2)cc1 1875219597 JIFXJHXHQUTOQW-UHFFFAOYSA-N 592.700 4.950 10 10 KJCE CCN(CC)CCOC(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3ccc(F)cc3)SC2=S)cc1 2297243969 PPNMTUTWKOTQHT-UHFFFAOYSA-N 529.659 4.554 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 2313557665 IZLSQSFMRIBWDU-UHFFFAOYSA-N 525.330 4.842 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(NC(=O)CCN3CCCCC3)C2=O)cc1 2314487518 IZKKFTNNIQZMHX-UHFFFAOYSA-N 547.706 4.656 10 10 KJCE CCOCCCN1C(=O)C(=Cc2cc3cccc(C)c3nc2N2CCC(C(=O)OCC)CC2)SC1=S 2314648306 UPORTKTUXFNLQL-UHFFFAOYSA-N 527.712 4.951 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCCC(=O)O 2314933390 VPTUOZSHKYYCSO-UHFFFAOYSA-N 564.641 4.674 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C(C)=Cc3ccccc3Cl)CC2)cc1 2330099977 RNBAYKDCTMDPDS-NDEPHWFRSA-N 536.047 4.967 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccccc4)S3)[C@H](c3ccc(N(C)C)cc3)C2)cc1 54201750 LDBFYRMOAGFNMN-UIOOFZCWSA-N 527.650 4.939 10 10 KJCE Cc1cc(N2C(=O)N=C(O)/C(=C\c3cccc(I)c3)C2=O)ccc1Br 59860116 JHPHVTBMFGCRQZ-NTEUORMPSA-N 511.113 4.869 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911387 UUDIWDMUSWNJQR-ULHTZMQHSA-N 576.737 4.739 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 102464345 ZYGJPVBZJPCCQT-JHLMGVGISA-N 531.638 4.604 10 10 KJCE CCCCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110529580 ZHVDWMOGZAZLBU-OOAXWGSJSA-N 621.829 4.997 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1C1CCCC1 110556675 XHFIEJPUSWGANZ-XIEYBQDHSA-N 580.757 4.704 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 150620730 MMHWPDDPCDRMSA-YUMHPJSZSA-N 629.739 4.594 10 10 KJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C\c1cc(Br)c(I)o1 1083979152 JTWVJEGFLRUTQQ-DAXSKMNVSA-N 572.005 4.785 10 10 KJCE COc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864008888 UOJCXNJBDBPOGX-ODCWNRFASA-N 547.011 4.826 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)c(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011059 DGQDXERUMUXZSX-NRFANRHFSA-N 517.413 4.569 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864013232 TZLCYPNADBFWAU-DEOSSOPVSA-N 548.640 4.549 10 10 KJCE CCC[C@H](NC(=O)CCN(Cc1cccnc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867083191 SUDWIAGEBLRPJE-SANMLTNESA-N 584.673 4.908 10 10 KJCE COc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1OC 1867307447 IDKRLXSVUZIRDN-BHBYDHKZSA-N 544.696 4.584 10 10 KJCE CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867747285 LKFWQTNGQYORRI-LOYHVIPDSA-N 632.271 4.823 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)/C=C(/c3ccc(C)c(C)c3)C3CC3)CC2)cc1 1868672397 ZMLSUAXWROLXMH-PCOPNOGXSA-N 521.727 4.692 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@H](c5ccc(F)cc5)C4)nc(C(C)C)n3)CC2)cc1 1869100117 GXDMUFNYDYTBET-SANMLTNESA-N 504.654 4.567 10 10 KJCE Cc1ccc(NC(=O)COc2cn(C[C@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)cc1 1871159615 ORVSVLKPCCTJMI-QFIPXVFZSA-N 512.610 4.911 10 10 KJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079858899 XGSHUBCKJFRCRI-OAHLLOKOSA-N 524.277 4.787 10 10 KJCE CCCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3ccccn3c2=O)SC1=S 2296706114 ZBJXXHSHXPSZOP-UHFFFAOYSA-N 540.114 4.676 10 10 KJCE CCOc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1OC(C)C 2297505651 YXLREIMWVPZTCM-UHFFFAOYSA-N 534.350 4.981 10 10 KJCE COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297533766 XTTLSZFVSLTGFN-UHFFFAOYSA-N 542.616 4.773 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N(CC)CC 2314765265 YYXZNTVXAKHJRK-UHFFFAOYSA-N 548.086 4.532 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)C(=Cc3ccc(O)c(OC)c3)SC2=S)cc1 2314831239 GLOZZQVOMAQCRV-UHFFFAOYSA-N 528.652 4.978 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 33291750 AFSFAAKMWBUPTC-MSXFZWOLSA-N 519.579 4.897 10 10 KJCE COc1ccc(N2CCN(CCCNC(=O)C3CCN(c4nc5ccccc5n4Cc4cccc(F)c4)CC3)CC2)cc1 101557664 AIKFXOHNSMFJKQ-UHFFFAOYSA-N 584.740 4.777 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(I)c1OCc1ccccc1 103566791 HJGKHUYCAUOGMG-UTXWOTMXSA-N 546.390 4.908 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCCOC)C3=O)c2)CC1 150407982 QHOCIMXXDDMJAX-OOAXWGSJSA-N 654.836 4.741 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccccc1OC 254404267 PIZSNEAEBMHOOU-NDEPHWFRSA-N 541.673 4.523 10 10 KJCE CCOc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526388981 SPBZHXQBDMMXMT-GDLZYMKVSA-N 512.654 4.960 10 10 KJCE O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1 606671980 IXINMEZOFWUUEY-UKTHLTGXSA-N 528.456 4.705 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864010940 CDYUBZMDFJQKOQ-MUUNZHRXSA-N 538.648 4.793 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864011578 VRMNHIXREBKETR-JOCHJYFZSA-N 511.022 4.746 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NC2CCCCC2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014824 DFKUHKOTTLCZNY-FQEVSTJZSA-N 528.531 4.754 10 10 KJCE NC1=C(C(=O)NC2CCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2O1 1864014852 DZAJAPUEVDAJKH-FQEVSTJZSA-N 546.521 4.644 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017256 ITKGNSKIABEGRM-DEOSSOPVSA-N 531.012 4.819 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864017452 MQVDAJZUUSMNDO-QYBDOPJKSA-N 524.621 4.980 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865029763 UVMNUIRCEGOVGQ-XMMPIXPASA-N 520.630 4.588 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865030437 JUJGXFDNKBWQAJ-FUMQJTLXSA-N 534.632 4.633 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865030945 VSCIUYMZZLEJBW-XDHUDOTRSA-N 520.605 4.530 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865035281 PXRRLSSSPBWVDD-MWTRTKDXSA-N 523.033 4.512 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867571742 UTSVIKQNUQZFTM-FELIMUHFSA-N 641.788 4.971 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])N2CCCCC2)cc1 1867875273 WVUJABMDCZHYLP-LMSSTIIKSA-N 594.112 4.704 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1 1868648509 SMCULBSDPJUSRY-LJAQVGFWSA-N 573.093 4.931 10 10 KJCE COc1ccc([C@H](C(=O)N[C@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880503 LDLSWECJVLSSRG-VSGBNLITSA-N 539.742 4.564 10 10 KJCE COC(=O)c1ccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873919900 VEJPHCJUYBZSFO-NDEPHWFRSA-N 508.578 4.604 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccccc3F)ncnc21 1875215123 WYQROKMESHTTER-UHFFFAOYSA-N 516.621 4.954 10 10 KJCE O=C1C(=Cc2ccc(F)cc2)SC(=S)N1CCCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 2314603311 DBINZFGTYTXXJV-SFHVURJKSA-N 585.119 4.816 10 10 KJCE CC(C)OC(=O)CCCCCN1C(=O)/C(=C2/SC(=S)N(CCCCCC(=O)OC(C)C)C2=O)SC1=S 107051323 HFNPJEFBAWDMPQ-VXPUYCOJSA-N 574.812 4.943 10 10 KJCE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 110559021 YVQYTAWQCXJVDC-NCELDCMTSA-N 582.773 4.952 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)c1 1864007189 HLWYXIYXODORFX-XMMPIXPASA-N 516.985 4.565 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864008384 JHEVESUNXKISRE-FAHJTYSBSA-N 509.006 4.635 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc3ccccc23)[C@@H]1c1ccc(O)c(O)c1 1864014883 FLXQHVNHUAJBQP-VWLOTQADSA-N 518.573 4.934 10 10 KJCE COc1cccc(OC)c1C(=O)N[C@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867364069 DJPGLGKAONNXQA-VIZCGCQYSA-N 544.696 4.584 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)CNC(=O)c2c(Cl)ccc(Cl)c2Cl)N2CCCCC2)cc1 1867733741 UBZDHWBTWUHDAE-HXUWFJFHSA-N 511.881 4.786 10 10 KJCE CC[C@@H](CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868960477 CQNKXULMZCWUQO-IBGZPJMESA-N 546.506 4.594 10 10 KJCE CCCN(CCC)c1nc2ccccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2296546048 JRAYEOXLLFNURN-UHFFFAOYSA-N 552.722 4.782 10 10 KJCE CCCCOc1c(Br)cc(C=C2SC(=S)N(CCCC(=O)OC)C2=O)cc1OC 2314760462 KFVQKUCQWLEQFW-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(N4C[C@@H](C)C[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 100886243 LORVAGDXWZOIPM-JDQAAXRKSA-N 534.707 4.895 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3nnc(SCc4ccccc4F)s3)C2=O)cc1 101196216 SCZLYYRPSDWYDN-YVLHZVERSA-N 532.669 4.818 10 10 KJCE O=C(O)CCCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S 101969573 YNCYNVVBADJLML-SDXDJHTJSA-N 527.506 4.972 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(I)c1OCc1ccccc1 103814640 OGYRABYNVMGTOG-STZFKDTASA-N 582.394 4.583 10 10 KJCE CCOc1cccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)[C@H]2c2ccc(N(C)C)cc2)c1 526286792 NLRHOQUUNSQUAI-SANMLTNESA-N 530.577 4.782 10 10 KJCE COCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3)[C@@H]2c2ccc(N(C)C)cc2)cc1 526564462 YALUQEUWUFTPAA-SANMLTNESA-N 502.567 4.622 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867844315 AHIWBIZMHNEGKZ-FIBWVYCGSA-N 602.692 4.562 10 10 KJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccc2Cl)C1=O 1873169685 SIZXCEVVSGNFGW-UHFFFAOYSA-N 505.062 4.959 10 10 KJCE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 2313510260 FZTXMFOBMSSHFF-UHFFFAOYSA-N 514.557 4.540 10 10 KJCE CSC1=NSC2=NC(=O)/C(=C\c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N12 101253574 CYIQEMNWFNGYCX-PMOKRTJVSA-N 517.430 4.847 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccccc5F)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150598472 BQAXDLXSTMJTEX-RRAHZORUSA-N 645.782 4.930 10 10 KJCE COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CSc2nc3ccccc3o2)s1 211921980 CQCIEXDJISZBTC-VCHYOVAHSA-N 585.714 4.829 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)c(I)c1 1084484650 SHNGBACSEQPCBT-BOPFTXTBSA-N 576.362 4.980 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 1772721425 RKLUUZSAJWLVGP-ZNAUYKARSA-N 534.707 4.895 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@H]1c1ccc(O)c(O)c1 1864013147 QXZCQYKSWJASNN-XMMPIXPASA-N 504.631 4.523 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864017770 UWZXIGGXPYJVBL-HSZRJFAPSA-N 518.614 4.523 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865032957 OQXMYYZTNXQHBD-SANMLTNESA-N 524.621 4.567 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc(Cl)c1 1865098245 QNNSVTCTQWJMKV-XMMPIXPASA-N 536.076 4.561 10 10 KJCE COc1ccc([C@@H](C(=O)N[C@@H](CCSC)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868880502 LDLSWECJVLSSRG-NSOVKSMOSA-N 539.742 4.564 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873166389 OEYYJVMUEWEFOW-VWLOTQADSA-N 504.030 4.839 10 10 KJCE CCOc1ccc(N2C(=O)C(=Cc3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 2297415548 ZNBDEEVOCBCSEE-AREMUKBSSA-N 507.568 4.561 10 10 KJCE COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2=C(C)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 2313683630 LHLIBVJBUUGSAA-UHFFFAOYSA-N 584.614 4.936 10 10 KJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccc(OC)cc3)SC2=S)c1 2314817633 ACGDLGDPWDEVMV-UHFFFAOYSA-N 522.652 4.522 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc(I)c1O 16694275 BVVWOTLZVKQYHJ-AUWJEWJLSA-N 513.129 4.574 10 10 KJCE CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 103814541 PNGDPEOSUJOKTM-ZSOIEALJSA-N 599.219 4.744 10 10 KJCE Cc1c(N2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)SC2=S)c(=O)n(-c2ccccc2)n1C 150449663 YEFAKXNRKBXVPN-DIBXZPPDSA-N 656.815 4.993 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(C)cc4)s3)C2=O)cc1 209419164 XHQLFTLCBQRXCW-WOJGMQOQSA-N 528.706 4.987 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 1084331501 CFCIUYVYUVOUEX-PMERELPUSA-N 567.711 4.790 10 10 KJCE CCN1C(=O)/C(=C\c2cn(CCOc3ccc(C)c(C)c3)c3ccc(Br)cc23)C(=O)NC1=S 1084536554 JQSRLIKXHWJNNK-MTJSOVHGSA-N 526.456 4.746 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864021434 BTNLLHBOKHNCDM-LIRRHRJNSA-N 516.520 4.541 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026956 UKYJYWYRSYCORD-DEOSSOPVSA-N 523.033 4.790 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@@H](C)C2)=C(N)O3)cc1 1865032958 ORWKLHPRCCIETJ-HOYKHHGWSA-N 532.641 4.579 10 10 KJCE CCOc1cc(/C=C2/C(=O)N(CC(C)C)N=C2c2ccc(OC)cc2)ccc1OCC(=O)N(CC)CC 1865677429 IMQNWOGZKRBBRX-LFVJCYFKSA-N 507.631 4.627 10 10 KJCE C[C@H](NC(=O)c1cc(C2CC2)n2nc(-c3ccccc3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867194069 LLUFQGOVCDCVPC-SFHVURJKSA-N 555.594 4.806 10 10 KJCE CCC[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867931582 RBVPMWQUHWQNLJ-BJKOFHAPSA-N 503.062 4.787 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CS(=O)(=O)c5ccccc5)C4)nc(C(C)C)n3)CC2)cc1 1869089359 CTYSFJZXKSJFBZ-DEOSSOPVSA-N 549.741 4.626 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4ccccc4C)n3)CC2)cc1 1869155116 DLDKHGCPIFGEEC-SSEXGKCCSA-N 552.654 4.604 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873166863 ZHNFDAQRJSWBHW-UHFFFAOYSA-N 503.046 4.711 10 10 KJCE O=C1C(=Cc2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 2314829287 VTTJVIZDGBYXME-IBGZPJMESA-N 593.818 4.529 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccc(O)c(OCC)c3)SC2=S)cc1 15039903 PXARKFZTEPZGSR-QNGOZBTKSA-N 514.625 4.588 10 10 KJCE CCCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OCCC)c(OC)c2)SC1=S 40938236 CAXSIHWIYRBGKF-VBKFSLOCSA-N 502.452 4.791 10 10 KJCE CCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 137695861 QXGBPKFJQFUEPW-BCLROXSPSA-N 580.776 4.992 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccccc4C)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252668203 DXVMSHHNSQLDQP-WJOKGBTCSA-N 597.737 4.760 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526501229 KFELUIAZDTXHPS-HHHXNRCGSA-N 515.610 4.664 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 1084115169 BTVWOBALVFFEEO-BOPFTXTBSA-N 556.369 4.907 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864011220 RUDRVBLWUSVILX-AREMUKBSSA-N 538.629 4.860 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864017766 UTKKPWJDRIFHMM-RUZDIDTESA-N 545.039 4.943 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864018153 DNBNYIJOWLJJDU-QHCPKHFHSA-N 525.049 4.950 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc6oc(O)nc6c5)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1869149529 RSQZSEPHVYDTHL-UHFFFAOYSA-N 577.689 4.961 10 10 KJCE CCCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871020612 FLEALJYBEVSKDH-UHFFFAOYSA-N 504.616 4.791 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3c(F)cccc3Cl)CC2)cc1 1874643346 XGJRJWKVCRJSQV-SANMLTNESA-N 535.019 4.659 10 10 KJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1 2294229052 LBCABXFCALEDNV-UHFFFAOYSA-N 501.608 4.665 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C2=O)cc1 2297459824 AFSFAAKMWBUPTC-UHFFFAOYSA-N 519.579 4.897 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 2313558420 ACGQTFLKDOBUFI-UHFFFAOYSA-N 556.369 4.907 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCC[C@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314413628 CPRCSEQVWSESAW-KRWDZBQOSA-N 520.680 4.649 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C(C)(C)C)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314934999 LXWKIQJTRRJVQE-OAHLLOKOSA-N 528.652 4.781 10 10 KJCE Cc1ccc(S(=O)(=O)N(c2ccc3c(c2)OCO3)C2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1 34683835 LEMDHGFKFXLWSX-UHFFFAOYSA-N 507.656 4.650 10 10 KJCE CN(C)c1ccc([C@@H]2N(NC(=O)c3ccccc3O)C(=O)[C@@]2(Cl)CNc2ccc(Br)cc2)cc1 95854633 CXUOOWLKKAGEPB-WIOPSUGQSA-N 543.849 4.539 10 10 KJCE COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOCCOc1ccc(C)c(C)c1 100321158 HECUWPQNQLQRMT-JLPGSUDCSA-N 537.012 4.901 10 10 KJCE Cc1ccc2nc(NC3CCCCC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100886175 QODBZAOGECOOEL-WSDLNYQXSA-N 534.663 4.878 10 10 KJCE Cc1ccccc1OCCn1cc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c2ccccc21 102475762 KUVFUPBIWMUHLF-RWJDTLOSSA-N 540.649 4.660 10 10 KJCE Cc1c(N2C(=O)/C(=C/c3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 110078093 IIQFJCHDIAPUBU-CLCOLTQESA-N 594.722 4.553 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864008391 JHYYOROPXJGOQQ-OYLFLEFRSA-N 516.985 4.817 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864008619 OKPOHHPTSUKCSA-OYLFLEFRSA-N 516.985 4.817 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864016320 MGGIXKXIULTEHP-RUZDIDTESA-N 524.621 4.937 10 10 KJCE Cc1cccc(-c2nc(CC(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866648526 KWODUQDDMZVJHF-UHFFFAOYSA-N 521.573 4.810 10 10 KJCE CSCC[C@H](NC(=O)c1nc(CC(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866869546 NMFZZMCGMWTCQT-QHCPKHFHSA-N 554.672 4.798 10 10 KJCE CC[C@@](C)(NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867464294 PPICDQXOAUOLMW-YUDQIZAISA-N 619.601 4.783 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772914 IQBGNKHFPRBHAN-VMPREFPWSA-N 516.661 4.576 10 10 KJCE CSCC[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867859471 DTWFCRLIHIZKAR-DQEYMECFSA-N 608.590 4.552 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCN(c3cccc(Cl)c3)CC2)n1 1867976349 JFDSVECUGACARM-UHFFFAOYSA-N 507.082 4.744 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC(=O)N3CCc4ccccc4[C@@H]3C2)n1 1868274979 KOUOYJDNBKGHQL-VWLOTQADSA-N 529.600 4.504 10 10 KJCE CC[C@@](C)(NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868847310 GUFWBEYBLFSFST-RPLLCQBOSA-N 530.507 4.831 10 10 KJCE CCc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3)c(C)o2)cc1 1868992901 MFAUPPVYVUIBEJ-WJOKGBTCSA-N 552.675 4.970 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccccc4OC)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970216 FUHNFQIWCBPPII-UHFFFAOYSA-N 519.005 4.517 10 10 KJCE CCOC(=O)c1ccc(-c2ccc(C=C3SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 2314432739 FGNWXUOEQYBXIH-UHFFFAOYSA-N 501.608 4.911 10 10 KJCE O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1 2239518 ARUQEBLALNRZEH-MOHJPFBDSA-N 540.066 4.900 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)cc(Br)c1O 40939979 JRMSDICXYBCATE-DHDCSXOGSA-N 513.822 4.753 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OCc1ccccc1F 100320358 ZNXLHZWECIEHAO-ODLFYWEKSA-N 586.357 4.993 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 105500252 VXSPNUNYZFIMSG-QFDNUGPTSA-N 606.542 4.789 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3cc4cccc(C)c4nc3N3CCOCC3)SC2=S)cc1 208279606 LGDALRSVVZDPNT-HAVVHWLPSA-N 505.665 4.832 10 10 KJCE CCOC(=O)c1c(CCNC(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc2n1CC(=O)O 1772800512 ADUZJHWEGDJMKS-UHFFFAOYSA-N 512.562 4.984 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)c1 1864010913 BUTDTJCVORZYNN-VWLOTQADSA-N 531.012 4.624 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864022044 JLYACRDTNOVZEQ-JXFKEZNVSA-N 545.562 4.867 10 10 KJCE CCn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NCc1ccc(OC(C)(C)C)cc1)[C@H]2c1ccc(O)c(O)c1 1864022590 PNLDJOCVXOZBOJ-IBGZPJMESA-N 546.546 4.521 10 10 KJCE CCC[C@@H](NC(=O)[C@H](c1ccc(Br)cc1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868855050 OVLUIEDXEYSDSD-RPBOFIJWSA-N 530.507 4.831 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cccs3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873168871 NKWATRPPASSZJA-UHFFFAOYSA-N 525.630 4.997 10 10 KJCE CCCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873574805 FEQZZJQCDFTNEP-UHFFFAOYSA-N 519.049 4.760 10 10 KJCE COc1cc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297311503 GCTWUVKVBXSFMU-UHFFFAOYSA-N 562.585 4.675 10 10 KJCE Cc1cccc(COc2ccc(C=C3C(=N)N4N=C(CC(=O)N5CCCCC5)SC4=NC3=O)cc2)c1 2297469340 MFBAPZAQDRYYBQ-UHFFFAOYSA-N 501.612 4.596 10 10 KJCE Cc1cc(I)ccc1NCN1C(=O)C(=Cc2ccc(N(C)C)cc2)SC1=S 2313501821 AZWRPRXVJLUWCI-UHFFFAOYSA-N 509.438 4.936 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2313541089 QSXOGGHMQGIERF-UHFFFAOYSA-N 599.459 4.899 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 2313557568 GOLFFDRVLVARHG-UHFFFAOYSA-N 570.327 4.750 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(C=C2SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1OC 2314767461 GZEFMKKAZNCNFN-OAQYLSRUSA-N 593.521 4.732 10 10 KJCE CCOC(=O)N1CCN(c2cc(Nc3cccc(C(=O)O)c3)c3c4c(onc24)-c2ccccc2C3=O)CC1 9780529 AMHLHUPAUXAKPJ-UHFFFAOYSA-N 512.522 4.760 10 10 KJCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 143253486 DFGPEILEYTZYQB-QQXSKIMKSA-N 626.764 4.873 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCC(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)ccc1OC1CCCCC1 211942059 OCPYSFRGBQCBGV-YMQCXJOPSA-N 518.701 4.634 10 10 KJCE O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 1084121494 FOWGNDNCGZTJOZ-MOSHPQCFSA-N 532.984 4.904 10 10 KJCE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 1860562180 FBFDHRZUXXUYPF-XNTDXEJSSA-N 518.485 4.669 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@@H]1C)=C(N)O2 1864013253 UDHGCUWDYSSFIK-NHZRIVAWSA-N 530.669 4.993 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864018394 KIAYCGDCZSIMIO-JOCHJYFZSA-N 511.022 4.559 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865031102 ZBNPABIYYNSDJK-HSZRJFAPSA-N 523.033 4.656 10 10 KJCE CC[C@@](C)(NC(=O)CCN(Cc1ccncc1)C(=O)OC(C)(C)C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867087020 FZZJIJABJMJMEJ-MGBGTMOVSA-N 584.673 4.908 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cc(-c4ccccc4)on3)CC2)cc1 1868752683 SCKUFMPPKIHKGG-NDEPHWFRSA-N 556.688 4.731 10 10 KJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)NCc3ccc(C)cc3)n4CC(C)C)CC2)cc1 1873579814 RNZMJKBXCMDTSG-UHFFFAOYSA-N 512.658 4.661 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3cccc(NC(=O)CCc4cccc(OC)c4)c3)CC2)cc1 1874726693 XQCAYSFGUCNIAB-UHFFFAOYSA-N 501.627 4.670 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Cl)c(OCC(=O)O)c(Br)c3)C2=O)cc1 2293682619 OCDMTOVKXUXRLV-UHFFFAOYSA-N 539.791 4.549 10 10 KJCE O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 2294216796 ABFWUOUESRVHCP-UHFFFAOYSA-N 602.381 4.539 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2313631542 QGBAULOEIJSMNJ-UHFFFAOYSA-N 519.602 4.787 10 10 KJCE O=C(O)CCCN1C(=O)C(=Cc2cc(Br)ccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 2314842185 DTVBLXMHLYWNGY-UHFFFAOYSA-N 553.431 4.672 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)N=C2O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 2930101 VXRKURLJHHSQDB-PXLXIMEGSA-N 517.494 4.876 10 10 KJCE CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 8778119 MKTJZDUJMIDNOF-JLPGSUDCSA-N 540.085 4.984 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccs1 20236709 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CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@H](C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867578851 PRDHQNGXCSDERF-MAPBSZMLSA-N 609.771 4.962 10 10 KJCE Cc1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867821667 ODJMNHRYVGTBNK-JDXGNMNLSA-N 602.692 4.562 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC(CS(=O)(=O)c3ccccc3)CC2)n1 1868480639 DSSDMESLKNBCGC-UHFFFAOYSA-N 552.656 4.994 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(CCOC(C)C)C2=O)cc1 1873162285 OAQYOOZCNQMUEI-UHFFFAOYSA-N 524.665 4.923 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NCc3ccccc3OC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873164957 AELULCITEZCTJQ-UHFFFAOYSA-N 556.663 4.593 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1cccc(C)c1 2293631581 MZWYCNJVGBYWCO-UHFFFAOYSA-N 551.393 4.890 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 2313548500 WNRHLZFNEWXYBY-UHFFFAOYSA-N 556.619 4.566 10 10 KJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCCN2C(=O)C(=Cc3cccs3)SC2=S)c1 2314817670 LZCLZRPNSGGUCM-UHFFFAOYSA-N 512.682 4.965 10 10 KJCE COc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(F)cc3)C2=O)cc(OC)c1O 2314831936 VZUNPGFLTBPWLD-UHFFFAOYSA-N 504.605 4.949 10 10 KJCE CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2c(s/c(=C\c3ccc(N(C)C)cc3)c2=O)=N1 101579163 LHTGHUPYSKSIPE-KDSDTBODSA-N 529.065 4.593 10 10 KJCE COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 213168986 QLRKEJSPMKAIPK-XKZIYDEJSA-N 545.598 4.626 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCCCCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864010942 CDYUBZMDFJQKOQ-NDEPHWFRSA-N 538.648 4.793 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864018746 BTCQMLSUWXXPPF-DEOSSOPVSA-N 531.012 4.569 10 10 KJCE COc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867309606 BWXWGAGYYZMNGZ-WDYNHAJCSA-N 576.713 4.593 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867919428 BPPTWZLOBFDHHS-IOWSJCHKSA-N 613.759 4.774 10 10 KJCE COc1cc(C=C2C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1OCCOc1ccccc1Cl 2297341098 UUQMLOFHQQRDJN-UHFFFAOYSA-N 533.031 4.755 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C(C)=Cc3ccccc3Cl)CC2)cc1 2330100393 POMHIUBKCVHVGU-NDEPHWFRSA-N 534.056 4.534 10 10 KJCE CCOC(=O)CCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OCC)c2)SC1=S 40938070 DJQZXBPUIYZRPE-WJDWOHSUSA-N 502.452 4.789 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)cc(I)c1OCC 100225861 YXDPAQAZSMNUPC-DHDCSXOGSA-N 601.260 4.682 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3C(SCC)=NSC3=NC2=O)ccc1OCCOc1ccccc1OC 101348284 COGVQXZGTPMJBT-UVJCQLMUSA-N 526.640 4.881 10 10 KJCE COc1ccc(N2CCN(c3ncnc(N4CCN(C(c5ccccc5)c5ccccc5)CC4)c3[N+](=O)[O-])CC2)cc1 101471364 DLROYTAZPYNNFK-UHFFFAOYSA-N 565.678 4.632 10 10 KJCE O=C(CCC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 1860565870 PPUZPHXTFRYPKM-UHFFFAOYSA-N 503.514 4.711 10 10 KJCE C[C@@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864016691 VMFPYQKJSNPADG-BCHFMIIMSA-N 545.599 4.918 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865030415 JIVSPBILXIWXTR-XMMPIXPASA-N 522.621 4.777 10 10 KJCE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC2)=C(N)O3)cc1 1865033592 DIJQYEIAXPBBOF-RUZDIDTESA-N 538.604 4.585 10 10 KJCE COC(=O)c1c(NC(=O)c2c[nH]c3cc(OC)c(OC)c(OC)c3c2=O)sc(C)c1-c1ccccc1 1866459088 RBMOZBMBRXACPD-UHFFFAOYSA-N 508.552 4.630 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867628473 LCYNUKUZEADERB-BOALQFNTSA-N 733.841 4.868 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccccc4F)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970892 RXPDVRBBDIIMDE-UHFFFAOYSA-N 520.996 4.576 10 10 KJCE CCn1cc(OCCCCOc2ccccc2C)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870321659 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612.775 4.946 10 10 KJCE CC[C@H](C)OC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)c1 1873420533 PGVNCYJCTJGCPG-NRFANRHFSA-N 515.610 4.888 10 10 KJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 2313561149 WVRCTLLMHJHZMY-UHFFFAOYSA-N 525.384 4.596 10 10 KJCE CCN1C(=O)NC(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C1=O 2313624606 XKZVFPPZUJZEAT-UHFFFAOYSA-N 504.743 4.726 10 10 KJCE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)C(=Cc2c3ccccc3cc3ccccc23)SC1=S 2314837624 UYTSRXLMVWTKAS-MRXNPFEDSA-N 547.683 4.869 10 10 KJCE CCc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CCOc4cccc(OC)c4)c4ccccc34)C2=O)cc1 2261448 ZSSLIWWKOQJYBI-YZSQISJMSA-N 509.562 4.958 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccc(F)cc4)CC3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 100860327 XXYZJROYFXCRPR-LGUFXXKBSA-N 585.730 4.913 10 10 KJCE Cc1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(Cl)c(Cl)c1 101378628 PEAVLZWGQZFMCJ-LPYMAVHISA-N 546.476 4.939 10 10 KJCE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(C)C)cc2)c1 526312116 DTZMABKHYKILGG-SANMLTNESA-N 521.639 4.636 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526382616 UQWNBJMRFSERCD-SANMLTNESA-N 507.539 4.970 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)cc1OC 1858588306 YAIRIWVJKOQIPB-ZFJBLLOBSA-N 517.625 4.918 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015737 DSSDLTSMCOAMIW-QFIPXVFZSA-N 516.985 4.825 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864016642 UQNFBBIFCGHBFN-BXKMTCNYSA-N 528.584 4.758 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016767 WVVYDAQKLKZGRN-QHCPKHFHSA-N 502.615 4.761 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1865031749 NNEWAGYSBVJCGU-WZONZLPQSA-N 502.615 4.713 10 10 KJCE C=Cc1ccccc1OCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867262243 GDRZPDKDIFFZLP-MHZLTWQESA-N 530.580 4.850 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1 1867528684 QTFVDCPAGINJPW-PXLJZGITSA-N 659.787 4.943 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896476 LUSXBXWZLRBRFO-SVBPBHIXSA-N 510.748 4.564 10 10 KJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCC[C@H](CO)C4)nc(Cc4ccccc4)n3)cccc21 1868208683 LYKQLXZKJSSDDL-NRFANRHFSA-N 504.590 4.795 10 10 KJCE CCCC[C@@H](NC(=O)Cc1nc(-c2ccccc2C)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868633658 VLBAEEGARZMADB-AREMUKBSSA-N 518.658 4.533 10 10 KJCE CCCCCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870600556 WLACKXKMUYNULI-UHFFFAOYSA-N 505.659 4.827 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1 2313557560 GLUYRPLKDYJBMG-UHFFFAOYSA-N 513.294 4.973 10 10 KJCE Cc1ccc2nc(NC[C@@H]3CCCO3)c(C=C3SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1 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555.859 4.794 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NCCCOC(C)C)nc12 102863042 RBWMEKJVCWFZGX-HMMYKYKNSA-N 500.690 4.764 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(NC[C@H](O)c3ccccc3)nc12 102994662 MNBVNDSWZISDPB-FNNTWHHHSA-N 520.680 4.682 10 10 KJCE O=C(CSc1nnc(-n2nnc3ccccc32)n1-c1ccccc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 105363616 BTOHJGLGWAFHNX-UHFFFAOYSA-N 557.595 4.507 10 10 KJCE CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 110531497 GXFZOSYLQOKJDU-ULJHMMPZSA-N 553.729 4.905 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(CC)CC)cc2)cc1OC 526312705 VUYBBGNWOIGLDP-HHHXNRCGSA-N 551.665 4.645 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 725416199 APQPMNQXOMTKQM-VWLOTQADSA-N 568.537 4.750 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(N4C[C@H](C)O[C@@H](C)C4)=NC3=O)c2)CC1 1554268863 ODHUZXJVCUOTCV-XLRFWQNOSA-N 663.822 4.583 10 10 KJCE 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CCC[C@@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867062623 GZHHAMAFFJOBED-XMMPIXPASA-N 538.629 4.837 10 10 KJCE CC[C@](C)(NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867287216 LWUFUFCZZVTKQO-MHZLTWQESA-N 534.494 4.666 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1867987493 PKQDWIXMPXGAGJ-UHFFFAOYSA-N 524.644 4.945 10 10 KJCE CCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN(C)C)C2=O)cc1 1873424935 LROMKNBAXPTAEP-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)C(=Cc2c(NCCCN3CCOCC3)nc3c(C)cccn3c2=O)SC1=S 2296706085 WAFFNGQZMJFKLV-OAQYLSRUSA-N 557.786 4.555 10 10 KJCE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3C=CSC3=NC2=O)cc1Br 2297314542 DTXUMZWXIDTCSO-UHFFFAOYSA-N 500.374 4.692 10 10 KJCE COc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C(F)(F)F)c(Br)c(Br)c1O 2297533263 AZPMBAZSKFPQBI-UHFFFAOYSA-N 564.108 4.973 10 10 KJCE COc1ccccc1OCCOc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC 27531866 VDFYYMQCGGKKCV-LDADJPATSA-N 510.431 4.755 10 10 KJCE COc1ccc(N2CCN([C@@H](CNS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)c3ccco3)CC2)cc1 38619463 NJSKALHEUHVMES-SANMLTNESA-N 511.688 4.672 10 10 KJCE O=C(O)CCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)Nc2ccc(Cl)cc2)SC1=S 101964758 LQZPSBUTUJGAIU-YVLHZVERSA-N 555.859 4.796 10 10 KJCE CCOC(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cccc(Br)c3)SC2=S)cc1 101971115 MXGATCVKBSMVHR-CYUIRQCWSA-N 519.442 4.854 10 10 KJCE O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C\Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 102549252 ROQGIWXHWKFTLN-PYCFMQQDSA-N 552.100 4.586 10 10 KJCE CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 110527062 ATWHMZXFKWVLQZ-WSLHGYQHSA-N 553.729 4.904 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864011111 ZGWJEGCWUVMCSV-NDEPHWFRSA-N 532.600 4.799 10 10 KJCE C[C@@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864016792 XMVRRXNABKUVAF-GVBQQNLMSA-N 540.664 4.914 10 10 KJCE 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CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865035190 NNWWDIWVVQFOSW-NRFANRHFSA-N 531.440 4.775 10 10 KJCE CSCC[C@@H](NC(=O)c1cc(C2CC2)n2nc(C3CC3)cc2n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867175968 LJQXGXALTXEOQS-HSZRJFAPSA-N 579.682 4.750 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867306524 SPNMIJOJGMYYRF-FIRIVFDPSA-N 586.733 4.972 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867686025 NPMFUDDBXLEIGU-VSJLXWSYSA-N 636.797 4.922 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867762525 MFCFLGYWCZSXRN-FQLXRVMXSA-N 515.702 4.785 10 10 KJCE COc1ccc(N2CCN(c3cc(N4C[C@@H](C)O[C@H](c5ccc(F)cc5)C4)nc(-c4cccnc4)n3)CC2)cc1 1869368876 AXRJOJLAKOHYHA-DFHRPNOPSA-N 540.643 4.979 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(F)cc4)cn3Cc3ccccc3)CC2)cc1 1870623231 LLHHQLYHTGKRCW-UHFFFAOYSA-N 513.613 4.946 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cccc(OC)c1 2293680487 RTEIJBVIRIXMQB-UHFFFAOYSA-N 534.516 4.733 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4ccc(C)cn4c3=O)SC2=S)cc1 2296846635 JBAKCUAYKDWPIB-UHFFFAOYSA-N 522.696 4.940 10 10 KJCE N=C1C(=Cc2ccc(OCc3ccccc3)c(Cl)c2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2297468415 FVDGJSZWFFPFAE-UHFFFAOYSA-N 508.003 4.551 10 10 KJCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 39989728 RUMXOGIXNQRXDR-VLZFXTDASA-N 506.697 4.994 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc1OC 105423893 VERVDSBBAAKJJU-VCHYOVAHSA-N 526.421 4.888 10 10 KJCE CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 143319002 YYDZOXOYUOULRS-HAHDFKILSA-N 540.711 4.687 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526375806 DOSCZDVFHKHXAT-AREMUKBSSA-N 507.539 4.970 10 10 KJCE CC(=O)OC[C@@H]1O[C@@H](OCCCCCN(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 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10 KJCE Cc1ccc2nc(N3CCCCCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1 33473041 HBYZRBQSFKIGEE-KGENOOAVSA-N 508.644 4.924 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccccc5F)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 100860399 CCICZXIXABPPBR-NHFJDJAPSA-N 615.756 4.921 10 10 KJCE CCCCn1c(O)c(/C=C/C=C/C=C2/C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)c(=O)n(CCCC)c1=S 101180012 CQXHJKLIKSRPGU-VEGGRFDHSA-N 572.709 4.850 10 10 KJCE COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)c(OC)c1 102839576 MLHGGBMKFMUBEV-BYYHNAKLSA-N 619.721 4.520 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(N4CCN(c5ccc(F)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150590056 SRCQOJWNJHJNQP-RRAHZORUSA-N 645.782 4.930 10 10 KJCE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 248089976 GRJOAKFNLPWCRS-FAWUNYRSSA-N 541.442 4.707 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1OC 1858588334 ZKTGGZRFXOWAIA-PPRFWAEMSA-N 500.642 4.967 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCc2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008506 LRUJBEMWBDEKBG-RUZDIDTESA-N 531.012 4.607 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(Cl)cc2)[C@H]1c1ccc(O)c(O)c1 1864012174 TUVSZGQLKKTEFG-HSZRJFAPSA-N 511.022 4.696 10 10 KJCE COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)NCC(C)C)=C(N)O3)cc1 1864022917 RMFGTBWBGBDUED-VWLOTQADSA-N 540.620 4.734 10 10 KJCE COc1ccc(CCN2C(=O)c3ccc(C(=O)N[C@H](Cc4ccc(O)cc4)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867501999 DYNHKDLRBCAEKJ-AMAPPZPBSA-N 717.867 4.990 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc(C)c(C)c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867896474 LUSXBXWZLRBRFO-KAYWLYCHSA-N 510.748 4.564 10 10 KJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2cn(C)c3ccccc23)C1=O 1873170082 NUGGXEDSSMIJIZ-UHFFFAOYSA-N 524.665 4.925 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(OC(F)(F)F)c3)C(=O)N(CCN(C)C)C2=O)cc1 1873420999 BQDKFTAQHLZFCK-UHFFFAOYSA-N 512.532 4.746 10 10 KJCE COc1cc(C=C2SC(=S)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2293382712 ZWSWAFPYZCAZBD-UHFFFAOYSA-N 528.589 4.777 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)C(=Cc2c(NC[C@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296545917 AWPSCIWHXVHFHB-GCJKJVERSA-N 528.659 4.802 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCC(=O)O)C2=O)cc1[N+](=O)[O-] 2296701038 CFSKPWWQGMYTLZ-UHFFFAOYSA-N 538.607 4.912 10 10 KJCE CC(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 2313682889 NCCQPVGXEQGQPX-UHFFFAOYSA-N 590.021 4.976 10 10 KJCE O=C(CCN1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S)NCc1ccccc1 2314828436 UKFVHZAYZIIHFP-UHFFFAOYSA-N 556.301 4.825 10 10 KJCE CCOC(=O)c1ccc(N2N=C(C)/C(=C\c3ccc(-c4ccc5c(c4)C(=O)N(C(C)C)C5=O)o3)C2=O)cc1 4489305 QFZPCMOMHQWSSS-HZHRSRAPSA-N 511.534 4.934 10 10 KJCE CCOC(=O)N1CCN(c2cc(Nc3ccccc3C(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1 9780525 MFYHKBPOYJXIPH-UHFFFAOYSA-N 512.522 4.760 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)c(Br)cc1OC(C)=O 13915500 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CCc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(OC(C)(C)C)cc1)=C(N)O2 1864022807 YKDFDSLRDBGPLX-DEOSSOPVSA-N 534.657 4.701 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865034502 XWVSUHQOIZJKBQ-IIBYNOLFSA-N 542.558 4.623 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1865987980 FYRVUGCFCDHOGS-HXUWFJFHSA-N 633.542 4.701 10 10 KJCE CN(C)[C@@H](C(=O)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cccnc1 1867278874 CFRIDQLKJMBERB-XRKRLSELSA-N 578.694 4.517 10 10 KJCE CN1c2ccccc2C(=O)N2CCc3c(n(CC(=O)NCCc4c[nH]c5ccccc45)c4ccccc34)[C@H]21 1873941330 GGWMESWIHRIHKT-PMERELPUSA-N 503.606 4.628 10 10 KJCE CCOC(=O)c1c(C(F)F)nn([C@H](c2ccc(OC)cc2O)C2(C)CC2)c1I 2079873954 WWFSIWSFUGGSIE-OAHLLOKOSA-N 506.287 4.706 10 10 KJCE Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(I)cc1 2313558601 FQDBXEPKJUJDQJ-UHFFFAOYSA-N 545.377 4.669 10 10 KJCE 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2314769030 NOXOEGQLJITUQC-UHFFFAOYSA-N 508.415 4.713 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)C=Cc4ccco4)n(-c4cccc(Cl)c4)n3)CC2)cc1 2331397955 LZWSTEFFXUYXCE-UHFFFAOYSA-N 504.978 4.501 10 10 KJCE O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 101281851 OKLUJCCBIKTWOG-UNOMPAQXSA-N 554.744 4.853 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 101911314 DZFDXOFPFMZMRH-MVZGGLRNSA-N 558.747 4.600 10 10 KJCE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 137717575 WGLCVXVEJJNSAP-KIDPUWIBSA-N 544.743 4.767 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)ccc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526226440 GONWERRFCCPIDG-AREMUKBSSA-N 507.539 4.970 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864013292 VHMGFIOYWSJDHC-HHHXNRCGSA-N 538.648 4.657 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCCc1ccc(Cl)cc1)[C@@H]2c1ccc(O)c(O)c1 1864016744 WPVNJSBSKVRWAC-HSZRJFAPSA-N 531.012 4.688 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030585 MOCBALUEVVLHDK-MZNJEOGPSA-N 537.060 4.902 10 10 KJCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)C1 1865030783 QZJHBLZJJDVRRC-DFBJGRDBSA-N 522.605 4.904 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)c2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866205257 WCWFRSCAQMVPTP-VQTJNVASSA-N 557.466 4.877 10 10 KJCE CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2F)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867172165 MVOTWLMCRKGJOE-QHCPKHFHSA-N 556.619 4.585 10 10 KJCE O=C(CSc1ccccc1C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)NCC1CCCCC1 1868131261 DOLUHDHTCYTZSI-UHFFFAOYSA-N 569.683 4.619 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5cn(C)c6ccccc56)C4=O)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869173394 DLRCYPWKFNKXBG-MGBGTMOVSA-N 587.728 4.956 10 10 KJCE COc1ccc(N2CCN(c3cc(N4C[C@H](c5ccc(F)cc5)O[C@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1869368879 AXRJOJLAKOHYHA-SKCUWOTOSA-N 540.643 4.979 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc([N+](=O)[O-])cc4)cn3CCC(C)C)CC2)cc1 1870688988 SRVYECMFKCHLFW-UHFFFAOYSA-N 520.630 4.712 10 10 KJCE COc1ccccc1CN1C(=O)C(NCCCCN2CCCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873167299 ADUIUMKOYPUMIO-UHFFFAOYSA-N 526.681 4.848 10 10 KJCE O=C(N[C@@H](Cc1ccc(O)c(O)c1)[C@@H](C(=O)O)C(F)(F)F)OCC1c2ccccc2-c2ccccc21 1952669191 HKESANNZKLOBMV-REWPJTCUSA-N 501.457 4.811 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 2296731172 ARONQUFOEATYET-UHFFFAOYSA-N 538.695 4.640 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 2314476778 VPXREKPFICAIRK-XMMPIXPASA-N 644.866 4.738 10 10 KJCE COCCCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 2314476939 YIWQIWJCPPALBL-OYRHEFFESA-N 612.799 4.575 10 10 KJCE CCc1nnc(NC(=O)CN2C(=O)C(=Cc3ccc(OC4CCCCC4)c(OC)c3)SC2=S)s1 2314488611 LOCAMLOGMFIDMD-UHFFFAOYSA-N 518.686 4.661 10 10 KJCE CCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OCC)C2=O)cc1OC 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CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1865031364 FIWGPQNLXBYERW-DEOSSOPVSA-N 510.594 4.573 10 10 KJCE CCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1Br)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867460281 XFGAMDSITVFRTR-BJKOFHAPSA-N 619.601 4.783 10 10 KJCE COc1ccc(S(=O)(=O)N2C(=O)C(=C3SC(=S)N(Cc4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 2296419049 APLBSENCNGLFGM-UHFFFAOYSA-N 557.074 4.856 10 10 KJCE CCN1C(=O)NC(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccc(Br)cc23)C1=O 2313623852 GFNMYNBEKSEADV-UHFFFAOYSA-N 516.779 4.618 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 2314479401 UGTQSHHZSKRYTR-UHFFFAOYSA-N 646.772 4.690 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccccc3)SC2=S)cc1 40066607 POGGSAIJHILELL-QRVIBDJDSA-N 500.649 4.887 10 10 KJCE CN1C(=O)/C(=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)c2cc(Br)ccc21 197503204 BHKLPASSCOJQBZ-CCEZHUSRSA-N 510.232 4.964 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc(C(=O)OC)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526353120 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CCC[C@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867607360 YKJVJSXWABKBRF-DQEYMECFSA-N 515.098 4.657 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867686430 WVOBPAHAASCHKL-DGPALRBDSA-N 544.744 4.945 10 10 KJCE CCC[C@H](NC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)c2c1CCC2)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868773920 UBKWGJNXRSSTQG-VWLOTQADSA-N 570.521 4.924 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccccc4Cl)n(-c4ccccc4)n3)CC2)cc1 1869969569 FJRJTPJSVNTCRE-LFIBNONCSA-N 515.017 4.908 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccnc(Cl)c4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970493 LFICHUNFQOJRSP-UHFFFAOYSA-N 524.412 4.557 10 10 KJCE O=C(CN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 2296538229 HENSZRZRFCTQHN-UHFFFAOYSA-N 517.607 4.625 10 10 KJCE C[C@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 2296716968 ODEUHOYCJSUCNC-CALCHBBNSA-N 508.644 4.717 10 10 KJCE COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1OC 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COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1OC 2297310330 AUQLAVXCFIHMCO-UHFFFAOYSA-N 508.600 4.827 10 10 KJCE CCCN(CCC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)c1 2314476647 SIJDOEJXTKJJKC-UHFFFAOYSA-N 620.801 4.518 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc(Br)c1OC 2314767776 IJEJULXEPXRETC-KRWDZBQOSA-N 508.415 4.884 10 10 KJCE O=C(O)CCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(OCc3ccccc3)cc2)C1=O 59815466 VQMKCXQHLXYLRT-XQNSMLJCSA-N 534.615 4.665 10 10 KJCE CCC1=NN2C(=N)/C(=C/c3cc(Br)c(OCCOc4ccccc4)c(OC)c3)C(=O)N=C2S1 100642080 GNHHMNPTVDHMSN-HPFDFQMNSA-N 529.416 4.945 10 10 KJCE C[C@H](Cc1ccccc1)N1C(=O)[C@H]2[C@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 105512896 DDGPWAIGMHQNNK-QMIHVTFKSA-N 544.401 4.571 10 10 KJCE CCCCn1c(=C2SC(=S)N(CC)C2=O)sc(=C/C=C2/Sc3ccc(Cl)cc3N2CC)c1=O 252618896 LKPVYDRRJLXDBM-WIYBVZFXSA-N 538.185 4.606 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1Br 526391931 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O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 101729141 ABFWUOUESRVHCP-YBFXNURJSA-N 602.381 4.539 10 10 KJCE CCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 150651181 SFLDNGPJGGXIAU-RRAHZORUSA-N 651.818 4.579 10 10 KJCE COc1ccc(-c2nonc2NC(=O)CCCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c(C)c1 207314740 GOZLDQYYBOUTDB-XSFVSMFZSA-N 508.625 4.982 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 1615296206 NPCCHNFZUYVCPF-RNONFNFLSA-N 572.774 4.909 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864013049 PAOKXAOBZPIUKN-QBFCQJJASA-N 534.632 4.824 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)c(Cl)c3)c2O1 1864015610 SXCONLORGZHMBX-INIZCTEOSA-N 541.313 4.582 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCC1)=C(N)O2 1865028939 BQXYOIHFKLPSAG-QFIPXVFZSA-N 509.006 4.597 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccccc4)[C@@H]3c3ccc(C)cc3)CC2)cc1 1865182963 VEPJVJWIQCZORR-NDEPHWFRSA-N 535.648 4.541 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3Cc3ccccc3F)cccc21 1866914513 UPXXIWLQLRATBL-XZWHSSHBSA-N 575.640 4.932 10 10 KJCE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2cccnc2)on1 1867164221 GPVNCNRLKDHWPA-RUZDIDTESA-N 560.541 4.631 10 10 KJCE CCC[C@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868722205 XDDMPDABJZGSIV-SVBPBHIXSA-N 509.691 4.776 10 10 KJCE O=C(COC(=O)C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 2053622683 JZNCAXAXMOYQCD-UHFFFAOYSA-N 554.562 4.905 10 10 KJCE Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)cc(I)c2OC(C)C)C1=O 2313548378 URZCVNGGBBMWRI-UHFFFAOYSA-N 616.193 4.658 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 2313557658 ITSWTWXDJANVFC-UHFFFAOYSA-N 539.313 4.562 10 10 KJCE 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CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC(C)(C)C)=C(N)O2 1864022139 UMJMQWOUMFPOHE-XMMPIXPASA-N 534.657 4.701 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029997 ZUNAUUCSMAARMW-QHCPKHFHSA-N 523.033 4.987 10 10 KJCE CCc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)o2)cc1 1868992987 ODJNYIPBEDOKFA-HKBQPEDESA-N 566.702 4.840 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(C3CCCC3)C2=O)cc1 1873420611 RQHYWKXDOTXXLS-UHFFFAOYSA-N 523.681 4.981 10 10 KJCE CCOC(=O)c1ccc(NC(=O)Cn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@H]32)cc1 1873951068 MJBRNMXHUKJKAW-NDEPHWFRSA-N 508.578 4.604 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccccc1C 2293152696 OLXAQTNTPUXVGH-UHFFFAOYSA-N 551.393 4.890 10 10 KJCE COc1cc(C=C2SC(=S)NC2=O)cc(I)c1OCCOc1ccc(C)c(C)c1 2293561017 IJLWTVUEFARHGJ-UHFFFAOYSA-N 541.432 4.863 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccco4)C3=O)c3ccccc32)c(C)c1 2296713747 WTTKPDZWNKXUGA-UHFFFAOYSA-N 503.605 4.653 10 10 KJCE N=[S@](=O)(O)c1ccc(-c2ccc(C=C3SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 2296721792 WTYCEMGKJOQGTN-UHFFFAOYSA-N 508.625 4.613 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NCCCOC(C)C)nc12 2296731325 NVVVMRWNFAAQEG-UHFFFAOYSA-N 508.669 4.631 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(C(C)C)SC3=NC2=O)ccc1OCCOCCOc1ccccc1 2296753643 UVKHKBSXXVODFD-UHFFFAOYSA-N 522.627 4.835 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 2314489629 SKCYDNFIRNJTRY-UHFFFAOYSA-N 566.730 4.559 10 10 KJCE CC[C@H](Oc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3Cl)C2=O)cc1)C(=O)O 2314928812 BWDUVCHBCHFVMW-INIZCTEOSA-N 511.408 4.782 10 10 KJCE Cc1ccc(CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c(O)c1Br 2352940294 CVJPAHFXRPJHKK-UTKZUKDTSA-N 521.452 4.920 10 10 KJCE CCCCCC1(C)OC(=O)C(=Cc2cn(S(=O)(=O)c3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)O1 58834120 HCCQRFBXMDGMGH-UHFFFAOYSA-N 512.540 4.566 10 10 KJCE C[C@H](C(=O)Nc1ccc(C(=O)O)cc1)N1C(=O)/C(=C/c2cc(Br)cc(Br)c2O)SC1=S 101054962 ZIZBJTIVBCIWEY-KIKKFWRUSA-N 586.283 4.844 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3sccc3C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 101266758 VFXWHCGAGBUAAC-RUAJRXAUSA-N 548.777 4.562 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(Br)cc1 103849112 IZLSQSFMRIBWDU-NDENLUEZSA-N 525.330 4.842 10 10 KJCE O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(N2C(=O)/C(=C\c3ccccc3)SC2=S)c1 1081156854 LXTRPHQECCINGR-HPTBBYBNSA-N 527.627 4.999 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1865027341 HENHLLSYULJHMX-VWLOTQADSA-N 504.631 4.611 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865034503 XWVSUHQOIZJKBQ-KKSFZXQISA-N 542.558 4.623 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)sc(C)c1-c1ccc(Cl)cc1 1866239349 LCUDAHMPIRIRJW-INIZCTEOSA-N 524.039 4.651 10 10 KJCE 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CC(C)N1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 2314475939 GCPLXOGZJFIPND-PMACEKPBSA-N 582.773 4.947 10 10 KJCE CCc1ccc(CC)c(-c2no[nH]c2=NC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)c1 2314817692 RFHZOPGNMTXOKS-UHFFFAOYSA-N 506.653 4.822 10 10 KJCE COc1c(I)cc(I)cc1/C=C1/C=C(c2ccccc2)OC1=O 100288002 AAHNYZFTAWKYIG-QPEQYQDCSA-N 530.099 4.886 10 10 KJCE CC[C@@H]1CCCCN1c1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 105642893 UVJDEBPZEBJNRM-ZALQFNEYSA-N 600.770 4.975 10 10 KJCE COc1ccc(C2=NN(C3=NC(=O)/C(=C\c4ccc(O)c(OC)c4)S3)[C@@H](c3ccccc3O)C2)cc1 206358524 DZSGGDVUFCPOFH-PFRKPPGBSA-N 501.564 4.937 10 10 KJCE O=C(CN1C(=O)/C(=C\c2cccc(OCc3ccccc3)c2)SC1=S)Nc1ccc(C(=O)O)cc1 210676472 ZGNJBOPYUUCOOV-HYARGMPZSA-N 504.589 4.804 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526375807 DOSCZDVFHKHXAT-SANMLTNESA-N 507.539 4.970 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(I)c1OCc1ccccc1 1084092035 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551.713 4.942 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@H](C)C3)nc3ccccn3c2=O)SC1=S 33444772 TWKQTXUIMLUBMK-FFWJGTLESA-N 514.717 4.726 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(NCc3ccco3)nc12 33803779 HHTYORPRYXORDH-NDENLUEZSA-N 506.584 4.749 10 10 KJCE CCCOc1c(Br)cc(/C=C2\SC(=S)N(CCCC(=O)OCC)C2=O)cc1OC 40938749 RDDCGFZYYBDVLF-VBKFSLOCSA-N 502.452 4.791 10 10 KJCE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)c1 101013347 WFDBWTRKNGADQP-ANYBSYGZSA-N 612.781 4.578 10 10 KJCE O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCS(=O)(=O)C1 101283013 YAQBKDXEHNEBKQ-GEYIUBJWSA-N 573.158 4.738 10 10 KJCE CCCCN1C(=O)/C(=C/c2cc(-c3ccc(S(=O)(=O)N(C)C)cc3)nn2-c2ccccc2)SC1=S 108860561 RBIZYYALCWHBHO-QJOMJCCJSA-N 526.709 4.791 10 10 KJCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c(C)c(C#N)c1=O 110523500 OAPKFUQGBWCMNJ-UQQQWYQISA-N 566.749 4.890 10 10 KJCE 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10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(O)c3cc(Br)cc(F)c3n2)N2CCCCC2)cc1 1866524420 DQVOULMKRSXXQY-JOCHJYFZSA-N 515.427 4.865 10 10 KJCE COc1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867311500 MLMCMLYURRCSFT-WDYNHAJCSA-N 514.670 4.576 10 10 KJCE CCC[C@@H](NC(=O)Cc1ccc2nc(O)c(Cc3ccccc3)cc2c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868928326 DKVXUUDFULVQJD-WJOKGBTCSA-N 566.702 4.716 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccc(C)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969425 BUVOFZSNBDSXGY-LICLKQGHSA-N 508.626 4.871 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H](C)c4ccccc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970836 RIZGSBHRUIOQJD-HXUWFJFHSA-N 517.033 4.998 10 10 KJCE O=C(COc1cn(CCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccccc1F 1871192648 PGOAUIDMVIUNJN-UHFFFAOYSA-N 516.573 4.743 10 10 KJCE COc1ccc(CCNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873162465 WOBOBPBDENVYQJ-UHFFFAOYSA-N 506.606 4.610 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccc(OC)c(OC)c5)ncnc4n3Cc3ccco3)CC2)cc1 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CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1 252670866 LWPSTUMCNRMUCI-NDEPHWFRSA-N 525.674 4.823 10 10 KJCE CCN(CCOC(=O)COc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 256248720 JKUPLXDGBBCICA-UHFFFAOYSA-N 526.571 4.862 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 1083975817 ZCULLDXNHOWQIC-ZDLGFXPLSA-N 542.773 4.875 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 1084070186 MMDGVRGUAMAQSJ-GRSHGNNSSA-N 525.876 4.641 10 10 KJCE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865033729 HDDXVWYESYICAC-XOBRGWDASA-N 546.521 4.596 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865035350 RJZRVBXBTIQXRJ-AREMUKBSSA-N 540.595 4.718 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](CO)NC(=O)[C@H](c3ccc(Cl)cc3)C3CCCC3)cccc21 1867008559 XBPAWDCEVCLUPM-DQEYMECFSA-N 531.008 4.505 10 10 KJCE 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CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2cccc(OC)c2)n1 1867989895 ABHBXFCMWDOWAU-UHFFFAOYSA-N 533.673 4.657 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5NC(C)=O)CC4)nc(Cc4ccccc4)n3)CC2)cc1 1869085738 LIBVRRYUJVPPFQ-UHFFFAOYSA-N 577.733 4.688 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5cccnc5)C4)nc(-c4ccccc4C)n3)CC2)cc1 1869151284 BFMUUIMUFWGZBH-MUUNZHRXSA-N 522.653 4.760 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314408656 ZUVIZIHXJRLQNP-UHFFFAOYSA-N 601.729 4.879 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OC(C)C 2314764884 OKKOTXFIMJNTIR-UHFFFAOYSA-N 507.431 4.791 10 10 KJCE CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)ccc1F 9490518 QIWDABFONWQAIY-UHFFFAOYSA-N 525.646 4.722 10 10 KJCE CCCCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)NCCc3ccccc3)c3ccccc32)SC1=S 34261721 KCLDKACKILTXME-WCWDXBQESA-N 507.681 4.544 10 10 KJCE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCC(=O)O)C3=O)c2)CC1 101013457 ONBSSQPYPXDZTK-ULJHMMPZSA-N 596.756 4.636 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C(F)(F)F)ccc1OCC(=O)Nc1ccccc1 101602877 KYBQMFOQMJOHOT-MOSHPQCFSA-N 539.466 4.759 10 10 KJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3\SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 110078102 NETUHYUZJZYCNT-BWAHOGKJSA-N 608.749 4.861 10 10 KJCE CCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110523172 ACEUQQAMRUXNJJ-DICXZTSXSA-N 617.728 4.644 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1 150421980 GDJFNSJNFQDSIB-RDRPBHBLSA-N 655.802 4.506 10 10 KJCE O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cccc(NC(=O)c2ccc(Br)o2)n1 1860556958 FWNPAWDRZBMJRS-UHFFFAOYSA-N 516.307 4.717 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864010165 JEWLRIZPEKWNIJ-XMMPIXPASA-N 531.012 4.900 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864017257 ITKGNSKIABEGRM-XMMPIXPASA-N 531.012 4.819 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864023387 YOYMZCDWWOWTAB-QHCPKHFHSA-N 547.011 4.833 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCC[C@@H](C)C2)[C@H]3c2ccc(O)c(O)c2)cc1 1865034501 XWVSUHQOIZJKBQ-IERDGZPVSA-N 542.558 4.623 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(Cc3ccc(C(=O)OC(C)C)cc3)C2=O)cc1 1873166867 ZHXOSRQLCQTPHQ-HHHXNRCGSA-N 541.648 4.708 10 10 KJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2nc3ccccc3[nH]2)C1=O 1873167461 INIXZSPKVLVCOJ-UHFFFAOYSA-N 524.669 4.572 10 10 KJCE CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2295982167 UMMMNXCOSNZDSF-KRWDZBQOSA-N 538.695 4.674 10 10 KJCE Cc1ccccc1NC(=O)CN1C(=O)C(=C2SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 2296712207 JXKBKJNJLHHWMT-UHFFFAOYSA-N 513.644 4.794 10 10 KJCE CN1C(=O)C(=Cc2cn(CCCOc3ccccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 2313624315 OWNULGHPWMZLKE-UHFFFAOYSA-N 532.847 4.783 10 10 KJCE 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CCCCCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1864015345 PANVVOKKSBFMPM-LJQANCHMSA-N 534.510 4.502 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)C13CC4CC(CC(C4)C1)C3)[C@H]2c1ccc(O)c(O)c1 1864020313 ARAIMZJBWFDMOV-MSHVNAQASA-N 520.674 4.682 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(CC)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864021902 RLURELRCAIHUJR-MZNJEOGPSA-N 504.631 4.647 10 10 KJCE COc1c(Br)c(C(=O)N[C@@H](c2ccc(N(C)C)cc2)c2nccn2C)c(Br)c(OC)c1OC 1865880259 RJNNPOJIDWSOMH-SFHVURJKSA-N 582.293 4.556 10 10 KJCE Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c1 1867482748 CUFVYRRMVHOERQ-WBBHLRKXSA-N 595.744 4.632 10 10 KJCE CC[C@@H](NC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867554886 KGLKEIBNDJOEKD-IHLOFXLRSA-N 540.708 4.835 10 10 KJCE CCCC[C@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867857080 AELVGKIPAHJGTI-UIOOFZCWSA-N 590.550 4.989 10 10 KJCE 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Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864008618 OKPOHHPTSUKCSA-OWJWWREXSA-N 516.985 4.817 10 10 KJCE NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccc(Cl)cc3)c2O1 1864014952 GVHMXFVMNPQXRS-GOSISDBHSA-N 546.889 4.560 10 10 KJCE NC1=C(C(=O)NCc2ccco2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1 1864015427 QZTOFPBZWPMSLW-SFHVURJKSA-N 546.889 4.560 10 10 KJCE CCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCC(C)C)=C(N)O2 1864016933 AMIZUZPMFDDQHN-HXUWFJFHSA-N 517.413 4.620 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864018626 PJTVCNZNWPSTBH-RUZDIDTESA-N 534.632 4.968 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865026715 RGULYEKXPLPFNL-VWLOTQADSA-N 522.621 4.914 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC(CS(=O)(=O)c5ccccc5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869360773 INBBVPCIYIUEIZ-UHFFFAOYSA-N 584.746 4.564 10 10 KJCE C[C@]1(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)Oc2ccccc2N(Cc2ccccc2)C1=O 1871333494 YSRRXCQHKBHLAV-WJOKGBTCSA-N 502.526 4.785 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4nc(SCC(=O)Nc5ccccc5C)[nH]c4c3)CC2)cc1 1872824941 LVXSNBUMARZQFD-UHFFFAOYSA-N 515.639 4.573 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(Cl)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873166256 JAFZKOGGJPFJSW-UHFFFAOYSA-N 500.002 4.583 10 10 KJCE CCOCCCN1C(=O)C(Nc2ccccc2N2CCOCC2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873426327 ZNBJTUSEPXTQTB-UHFFFAOYSA-N 528.653 4.549 10 10 KJCE COc1ccccc1OCCOc1cccc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c1 2293653434 CIRRUYYCVIDYEF-UHFFFAOYSA-N 537.366 4.582 10 10 KJCE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2cccc(C(=O)NCc3ccco3)c2)n1 98015289 OKNLYKNLTLIIFM-UHFFFAOYSA-N 559.692 4.774 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C(F)(F)F)ccc1OCc1ccc(Cl)cc1 101380676 NEKYSTAAIJAJIO-UDWIEESQSA-N 565.957 4.924 10 10 KJCE Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 213175868 BXMOEZDLYUHART-CYVLTUHYSA-N 509.609 4.641 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1OC 526386469 BDKLWLWSFZAYOM-GDLZYMKVSA-N 528.653 4.579 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015926 GRAXHXCJEBNQEC-HSZRJFAPSA-N 531.012 4.882 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865028147 QMJGJCXBWTYPBW-VWLOTQADSA-N 528.996 4.525 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(OC)c(OC)c3)C(C)C)c3ccccc3)CC2)cc1 1868863460 JFOZPASRZFVIPJ-XZWHSSHBSA-N 545.680 4.658 10 10 KJCE CCN(CC)CCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOc2ccc(OC)cc2)C1=O 1873167566 MNEMBMVWVXDRJB-UHFFFAOYSA-N 544.696 4.583 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(N(C)Cc3ccccc3)nc12 2296698685 DSVATZUQXOPCMH-UHFFFAOYSA-N 502.621 4.634 10 10 KJCE CCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296705173 YKYPBVRTEDTAAB-UHFFFAOYSA-N 540.114 4.594 10 10 KJCE CCOc1c(I)cc(I)cc1C=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2313547939 GZUCLCPTEUJDGA-UHFFFAOYSA-N 622.584 4.614 10 10 KJCE CCOCCCN1C(=O)C(=Cc2c(NC3CCC(C)CC3)nc3c(C)cccn3c2=O)SC1=S 2314414374 XNIRSCZFKFSAQI-UHFFFAOYSA-N 500.690 4.621 10 10 KJCE O=C(NN1C(=O)C(=C2C(=O)N(Cc3ccccc3)c3ccccc32)SC1=S)c1ccc(Cl)cc1 2314764952 QDZOXILGWXVQQS-UHFFFAOYSA-N 506.008 4.803 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 33330574 LIQLLQFZHYAGEJ-OCOZRVBESA-N 513.644 4.794 10 10 KJCE COc1ccc(N2C(=O)[C@H]3[C@H](c4ccc(C(C)(C)C)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1 33385569 AMBJKTATRAJQRP-DSITVLBTSA-N 509.558 4.688 10 10 KJCE Nc1ccc(/N=N/c2ccc(/N=N/c3cc(S(=O)(=O)O)c4cc(S(=O)(=O)O)cc(S(=O)(=O)O)c4c3)cc2)cc1 100454240 JZFJUGNYYZUIDJ-JQRDNDPDSA-N 591.605 4.993 10 10 KJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1c(C)cccc1C 101430877 JPMPJWPWASOZDQ-BVZJYVBKSA-N 526.387 4.983 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccc2c(c1)OCO2 101431633 VZHBMBGPGABPPD-AMXFNNBISA-N 526.343 4.606 10 10 KJCE CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(I)cc2)c1O 103994998 KAIXNYZWTHHBTO-CIAFOILYSA-N 512.351 4.914 10 10 KJCE CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)n2c(sc(=Cc3cc(C)n(-c4cccc(C(=O)O)c4)c3C)c2=O)=N1 1084171291 HJFIYJPJXMNNBO-SSEXGKCCSA-N 629.735 4.701 10 10 KJCE COc1ccc(CN2C(=O)c3ccc(C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1865878231 FOBLLRDRJLISAA-LJAQVGFWSA-N 540.664 4.514 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867809095 KQTQARHKXJHDID-SVBPBHIXSA-N 570.631 4.994 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867884584 XZOUHCFJKLPZAY-UKILVPOCSA-N 562.136 4.509 10 10 KJCE CCC[C@H](NC(=O)C[C@H](CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868961387 AHOXUOOCYYTMIY-CPJSRVTESA-N 560.533 4.984 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)CC2)cc1 1874753246 SUZMDDNCDOEFTQ-UHFFFAOYSA-N 501.627 4.725 10 10 KJCE COc1ccc(CCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3CC(C)C)cc1 1875208074 SFZNNWHEWCMSQI-UHFFFAOYSA-N 542.684 4.722 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(C)c1 2040469732 KGLMCJBXQFWOLL-FQEVSTJZSA-N 539.704 4.635 10 10 KJCE CCOC(=O)c1c(C(F)(F)F)nn([C@@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079859060 ZLXPXIYHISOQIZ-OAHLLOKOSA-N 524.277 4.787 10 10 KJCE Cc1c(NC(=O)CCCCCN2C(=O)C(=Cc3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C 2297449490 QEGKSNBFILGHNP-UHFFFAOYSA-N 520.680 4.885 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313521507 SQJLDMCZSAFGJK-UHFFFAOYSA-N 615.405 4.618 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1 2313541135 VPARCBRMAFVOJB-UHFFFAOYSA-N 585.432 4.509 10 10 KJCE CCOc1cc(C=C2SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 2314831422 KTQKPAVRRIJBRB-UHFFFAOYSA-N 514.625 4.889 10 10 KJCE Cc1ccc(C(=O)O)c(NC(=O)CCCN2C(=O)C(=Cc3ccccc3OC(F)F)SC2=S)c1 2314937075 CXFAYBGXJUKEQD-UHFFFAOYSA-N 506.552 4.915 10 10 KJCE CCOc1ccc(C=CC(=O)Nc2nc(N3CCN(c4ccc(OC)cc4)CC3)nn2-c2ccccc2)cc1 2331394505 OCWCGZPCVOVNPI-UHFFFAOYSA-N 524.625 4.653 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c(NCCc3ccccc3)nc12 33529867 HMNCHCJSJWUECM-QNGOZBTKSA-N 502.621 4.652 10 10 KJCE CN(C)c1ccc(CNC(=O)CN(C)c2nn3c(NC(C)(C)C)c(-c4ccc(F)cc4)nc3s2)cc1 64703958 QUEFJURILFKFMC-UHFFFAOYSA-N 509.655 4.626 10 10 KJCE O=C(CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 101281900 BJVPHZQFBSNYAO-JAIQZWGSSA-N 552.678 4.541 10 10 KJCE CCOc1cc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1OC(C)C 101533243 YXLREIMWVPZTCM-GIJQJNRQSA-N 534.350 4.981 10 10 KJCE Cc1cccc(OCCOc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2Br)c1 102444436 LCTNBCCYMIHGHL-RCCKNPSSSA-N 521.367 4.882 10 10 KJCE CCOc1cc2[nH]c(=S)n(Cc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3)c(=O)c2cc1OCC 102756646 KIWJESQCBLVVCA-UHFFFAOYSA-N 574.703 4.876 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1Cl 102857789 NRZAFVIUCAJDSD-AGKWGAAGSA-N 546.095 4.590 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 106004029 YMIAVTSPJFYQJR-PPRFWAEMSA-N 521.645 4.674 10 10 KJCE CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3/C(=C\c4ccc(N5CCOCC5)cc4)CCC[C@@H]3[C@@H]2c2ccc(N3CCOCC3)cc2)n1 138352420 LGWHSOQDLXGCQF-AXBCGBFUSA-N 625.730 4.921 10 10 KJCE COC(=O)CCNC(=O)c1ccc(/N=N/c2cc(C(=O)NCCC(=O)OC)ccc2/N=N/c2ccc(O)c(C(=O)OC)c2)cc1 504633379 NIHYBAAFPXWTNV-SJMAOBPSSA-N 618.603 4.595 10 10 KJCE in-vitro CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OCC)c(OC)c2)[C@H]1c1ccc(O)c(O)c1 526526086 GXYYYUZDGQCDSH-RUZDIDTESA-N 505.523 4.739 10 10 KJCE COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)nn2Cc2ccc(F)cc2)cc1 1862374627 WWXDITOLKSPMLT-UHFFFAOYSA-N 500.574 4.717 10 10 KJCE CCCc1nn(C)c2c1[C@@H](c1ccc(C(C)C)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865150288 DCKLSTAHMHWIJW-AREMUKBSSA-N 529.685 4.548 10 10 KJCE CC[C@](C)(NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867730414 JXMGNPAGDZAQCA-QGRQJHSQSA-N 613.734 4.934 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4cn(C)c5ccccc45)nc(-c4ccccc4C)n3)CC2)cc1 1869154717 HHEZFARUSIHFLM-MGBGTMOVSA-N 587.728 4.956 10 10 KJCE COC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873165200 IAXBBYGDEDSUAH-UHFFFAOYSA-N 563.610 4.679 10 10 KJCE CCCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c1 2297467526 GZNKPQUPESUYSY-UHFFFAOYSA-N 543.692 4.807 10 10 KJCE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 2313560002 FOWGNDNCGZTJOZ-UHFFFAOYSA-N 532.984 4.904 10 10 KJCE CC(=O)NCCCN1C(=O)C(=Cc2c(C(C)C)nc3c(Cl)cc(C(F)(F)F)cn23)SC1=S 2323888679 CQAVANNIUNZECS-UHFFFAOYSA-N 504.987 4.857 10 10 KJCE CCN1C(=O)/C(=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)c2cc(Br)ccc21 2509115 XUSNOLNWZFNILA-VHEBQXMUSA-N 503.443 4.638 10 10 KJCE COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)NC2=S)c(OC)c1 59595324 BHPSXGILYQHTGO-GZTJUZNOSA-N 513.369 4.558 10 10 KJCE O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283139 GQBFLVNUVFFRHO-OBLBUWMUSA-N 573.520 4.550 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCN(Cc5ccccc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 105612635 WKEYJRPDENWXTC-DIBXZPPDSA-N 597.766 4.735 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 252674545 SGXOPLITQPSEHR-HHHXNRCGSA-N 620.525 4.697 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(F)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OCC)cc1 254439360 RYFNLCMIEZCRSJ-MUUNZHRXSA-N 559.663 4.744 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1C 1083951459 AKBZKMBWRFPKSP-GZTJUZNOSA-N 510.300 4.901 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@@H]1c1ccccc1 1084040843 WYAVEHOERNGGRM-AREMUKBSSA-N 623.516 4.810 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2-c2cccc3ccccc23)[C@H]1c1ccc(O)c(O)c1 1864017692 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10 10 KJCE CCCCCN1C(=O)C(=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 2314765220 XZZFYMALKQRLBK-UHFFFAOYSA-N 530.469 4.902 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C\c3cc(Cl)c(OC(=O)c4cccs4)c(OC)c3)C(=N)N12 20154850 MJVGEEWZPAVVLZ-STFAQDPBSA-N 507.018 4.959 10 10 KJCE COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 101035771 SKCYDNFIRNJTRY-XKZIYDEJSA-N 566.730 4.559 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 254305666 ULSYORSFOKWVSG-GDLZYMKVSA-N 554.716 4.580 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)[C@@H]2c1ccc(O)c(O)c1 1864021647 RCHYBWNAEGYKRU-CRICUBBOSA-N 516.642 4.718 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031497 IKCNGOXYTCMDEV-IECBHUPTSA-N 516.642 4.816 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3ccccc3Cl)c2O1 1865031848 PJRMENDAIPOWGO-DEOSSOPVSA-N 543.023 4.980 10 10 KJCE 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505.017 4.732 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3CCN(C(=O)OCC)CC3)nc3ccc(C)cn3c2=O)SC1=S 100849796 VSQNNFPRWMPKOI-OFXNXBLFSA-N 571.769 4.699 10 10 KJCE C/C(NCCN1CCOCC1)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 101388196 GNZOGWUVOUNZGV-QJOMJCCJSA-N 528.103 4.640 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccccc1 103862961 LPVNVNLQYSNQAC-HMZQWJBASA-N 537.685 4.782 10 10 KJCE CN(C)c1ccc(CN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 105705645 OIAYZJWACJTIIA-VPQROWECSA-N 558.679 4.974 10 10 KJCE Cc1c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(N2C[C@H](C)O[C@@H](C)C2)n(C)c(=O)c1C#N 137689695 KTERXUKCBLSREP-SSGIABERSA-N 588.796 4.976 10 10 KJCE CCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143252265 HRFFQGCPVBSQPT-HMAPJEAMSA-N 554.694 4.515 10 10 KJCE O=C1[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1C1CCCCCC1 253561010 BNZIXLALWBIGGW-BHDDXSALSA-N 522.395 4.662 10 10 KJCE 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CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865032313 ACBHYWAOVZKAHA-LNPFQXMTSA-N 523.033 4.698 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1865035335 QWOVNAJRMSABQQ-QHCPKHFHSA-N 525.049 4.902 10 10 KJCE CCOc1ccc(CCNc2ncnc3c2cc(C(=O)N2CCN(c4ccc(OC)cc4)CC2)n3CC)cc1OCC 1875203494 XJXCLEWTWHCFTO-UHFFFAOYSA-N 572.710 4.874 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 2296710644 IZDXERVATZIIHK-UHFFFAOYSA-N 517.607 4.891 10 10 KJCE CC[C@@H](C)N1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296716971 OMOSOFCTSMIQMX-GOSISDBHSA-N 554.141 4.983 10 10 KJCE COc1ccccc1OCCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 2297499382 YKNXZDZPHMJHKF-UHFFFAOYSA-N 536.968 4.790 10 10 KJCE CN1C(=O)C(=Cc2cn(CCOc3ccccc3Cl)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508830 OKNFQBAHVDSWMY-UHFFFAOYSA-N 578.090 4.912 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)C(=Cc3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)c3)S2)CC1 2314476702 UEZRHEXNKXJKNH-DHIUTWEWSA-N 663.822 4.583 10 10 KJCE O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 2318781163 FBFDHRZUXXUYPF-UHFFFAOYSA-N 518.485 4.669 10 10 KJCE CCN(CC)C(=O)COc1c(Br)cc(/C=C2/SC(=S)N([C@@H](C(=O)OC)c3ccccc3)C2=O)cc1OC 101737439 HWVHOGNEIBLLCK-VOSMRYOYSA-N 607.548 4.820 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 110555800 QQABLHYVENWSJQ-DGMIEQENSA-N 602.738 4.610 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)c(COc4ccc(F)cc4F)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 252669153 GRIMCHQIUQDEDO-PMERELPUSA-N 619.690 4.730 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1 254836324 ICCWAKTUEASIHF-HHHXNRCGSA-N 562.091 4.868 10 10 KJCE CC[C@H]([C@H](C)O)n1cnn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 334163027 UQVXLZZMWCZLHS-SUUNXRQISA-N 700.791 4.573 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864011763 XZCWIMHXIUVKCX-SANMLTNESA-N 524.621 4.864 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864017637 QRZCHGDLPJUEIR-XMMPIXPASA-N 502.615 4.688 10 10 KJCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccc2ccccc12 1865130444 GHWVHSZNUKDUOV-MUUNZHRXSA-N 537.664 4.807 10 10 KJCE COc1cccc([C@H](C)CC(=O)N[C@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1 1867109354 BLFBSIABEMHGJI-IQGLISFBSA-N 530.646 4.841 10 10 KJCE COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867309604 BWXWGAGYYZMNGZ-URLMMPGGSA-N 576.713 4.593 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 1868679319 UJACUTMMECBSQB-RCRUUEGKSA-N 578.109 4.844 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NCc3ccc(C)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873166632 UETPKIVBSLGNHQ-UHFFFAOYSA-N 540.664 4.893 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc4c(NCCc5ccccc5)ncnc4n3CC(C)C)CC2)cc1 1875207893 LGVXYVBQGJRDFH-UHFFFAOYSA-N 512.658 4.713 10 10 KJCE CCCCCCN1C(=O)C(=Cc2c(NC[C@@H](O)c3ccccc3)nc3ccccn3c2=O)SC1=S 2296546074 LGFJBWKXRSDFGU-HXUWFJFHSA-N 508.669 4.622 10 10 KJCE CC1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(C)C3=O)c2)CC1 2297468902 LMSBUKFBCUWNLK-UHFFFAOYSA-N 538.720 4.791 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc(Br)c1OC 2314765185 XBFCQZBXGLBORQ-UHFFFAOYSA-N 513.822 4.666 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(N3CCSCC3)nc12 2328912 JVFHUEOYKBZYGW-CPNJWEJPSA-N 529.112 4.611 10 10 KJCE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864013636 YKJVDJYYLYHJKB-JLCFBVMHSA-N 529.012 4.697 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864016643 UQNFBBIFCGHBFN-MZNJEOGPSA-N 528.584 4.758 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865035351 RJZRVBXBTIQXRJ-SANMLTNESA-N 540.595 4.718 10 10 KJCE Cc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 1868479348 PJVOSKAMCZKWEE-VWLOTQADSA-N 517.589 4.589 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C[C@H](C)c3ccc(Cl)cc3)CC2)cc1 1868680648 BBKJWGLOAZOMLM-KMRXNPHXSA-N 536.072 4.624 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@H](c5ccc(F)cc5)C4=O)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869168197 IHIIXLLJPLWNHB-SSEXGKCCSA-N 552.654 4.604 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)COc4ccc(C)c(C)c4)cc3)CC2)cc1 1874741441 RQDWHFMIIQQWDY-UHFFFAOYSA-N 502.611 4.691 10 10 KJCE O=C1/C(=C/c2ccccc2Cl)N=C(c2ccccc2)N1c1ccc2c(S(=O)(=O)O)cccc2c1S(=O)(=O)O 100468642 WNARKUGZRWSZEY-QNGOZBTKSA-N 569.016 4.821 10 10 KJCE CCCCCCN1C(=O)/C(=C\c2c(N3CCC(C(=O)OCC)CC3)nc3c(C)cccn3c2=O)SC1=S 103716545 VCNRCIKSDRNNON-HEHNFIMWSA-N 542.727 4.564 10 10 KJCE COCCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 110557106 JIIQJKGMSLRBTQ-HKOYGPOVSA-N 568.746 4.562 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)c3)S2)CC1 1554268948 UEZRHEXNKXJKNH-XLRFWQNOSA-N 663.822 4.583 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012139 SAHJXMIAPUOIGH-XMMPIXPASA-N 523.033 4.838 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@H]2c1ccc(O)c(O)c1 1865032071 VDFFEKXEUMFXHK-QHCPKHFHSA-N 502.615 4.857 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865038089 UHHJBINNHXQTGP-HFJWLAOPSA-N 524.621 4.952 10 10 KJCE CCCc1nn(C)c2c1[C@H](c1cccc3ccccc13)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865132707 ZKNDGIOSSDUMEJ-MHZLTWQESA-N 537.664 4.578 10 10 KJCE CSCC[C@@H](NC(=O)c1cccc(-n2cccc2)c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866615735 IDKJYVRWVCTTBI-RUZDIDTESA-N 523.614 4.743 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc21 1867051366 ZUQUNSKBAKQLTG-GTNKKZTPSA-N 530.580 4.637 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](NC(=O)c2ccc(F)c(F)c2F)c2ccccc2)N2CCCCC2)cc1 1867810874 AENNZBNOZAOHAM-NAKRPHOHSA-N 538.614 4.984 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OC)c4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869971135 YUZQZOVTKUQSCW-UHFFFAOYSA-N 519.005 4.517 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(F)cc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873164508 FOQYFIXVDPDNSH-UHFFFAOYSA-N 514.645 4.979 10 10 KJCE CC[C@@H](C)NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCc2ccc(OC)c(OC)c2)C1=O 1873168163 LASLFHITXYETOB-LJQANCHMSA-N 501.627 4.822 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCCO4)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418920 GZQPFKAOPJRNKR-UHFFFAOYSA-N 506.562 4.653 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc4c(c3)OCO4)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873423127 FWIUIOUNDBIUAJ-UHFFFAOYSA-N 535.556 4.944 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875214088 CBENMBZDPIQVDG-UHFFFAOYSA-N 558.683 4.702 10 10 KJCE N=C1C(=Cc2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 2296639708 FHZOOZGIOGNVDW-UHFFFAOYSA-N 531.041 4.975 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCN(c5ccc(OC)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2296704209 XPOCHNXVAKHVSH-UHFFFAOYSA-N 613.765 4.748 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccccc1 2314476499 PNSSRYZTUYTUTN-UHFFFAOYSA-N 602.763 4.962 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 2063084 CJAQFRVBGXWMKU-ASZNLBCTSA-N 575.134 4.925 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc(Br)c1OC 40940556 GDZYWBCMVDTMCF-BOPFTXTBSA-N 507.431 4.711 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100885955 NFHGPKOTUBGHLX-NMGFGJDYSA-N 600.770 4.689 10 10 KJCE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5cc(C)ccc5C)ccc4n3)CC2)cc1 102314270 IGZBDJKRABROOR-UHFFFAOYSA-N 546.649 4.686 10 10 KJCE CC(=O)Nc1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 102444375 IOHPMOBDUXUVBN-PCLIKHOPSA-N 542.979 4.999 10 10 KJCE N=C1/C(=C\c2ccc(OCCOc3ccccc3)c(Cl)c2)C(=O)N=C2SC(c3cccnc3)=NN12 102471301 ACYXADSEKYRPJQ-KAGZEXGGSA-N 503.971 4.860 10 10 KJCE Cc1ccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4O)N[C@@](C(=O)O)(c4ccccc4)[C@@H]3C2=O)cc1Cl 248148202 IQOAFWJKFYBLNR-YGWSKSRPSA-N 555.812 4.547 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N=Nc4ccccc4)cc3O)c(=O)n2[C@H]1c1ccc(OC)cc1OC 1084393505 ALFKPNLZMQAYMW-NDEPHWFRSA-N 584.654 4.937 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864013033 OPHDBHDZXRNEHI-SANMLTNESA-N 542.611 4.754 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013485 XJFBAULWHWMLMT-QHCPKHFHSA-N 523.033 4.702 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NCc2ccccc2)=C(N)O3)cc1 1864017666 RDCVSPBRUHJVNV-RUZDIDTESA-N 540.620 4.637 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864019762 QHBKPLSQHDUOKU-NQKDMWHGSA-N 523.033 4.889 10 10 KJCE CCCc1nn(CCC)c2c1[C@H](c1ccc(CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865497893 WIXTURQEQFRYNJ-MHZLTWQESA-N 543.712 4.860 10 10 KJCE CCOC(=O)c1c(NC(=O)CN2C(=O)COc3ccccc3C2=O)sc(C)c1-c1ccc(Br)cc1 1866041535 URQGTALUFRIGQU-UHFFFAOYSA-N 557.422 4.663 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867692338 FAQQQSLUKMEUTL-KKLWWLSJSA-N 728.381 4.802 10 10 KJCE CSCC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867859474 DTWFCRLIHIZKAR-RPBOFIJWSA-N 608.590 4.552 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4ccc(Cl)nc4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970499 LPZPMNNNAJDVDQ-UHFFFAOYSA-N 524.412 4.557 10 10 KJCE CC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423484 OAOLHNBYQYQJRY-UHFFFAOYSA-N 507.594 4.776 10 10 KJCE CC(C)CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N(C)C)cc2)SC1=S 2053466900 ZMEOQWYDWNDCNH-UHFFFAOYSA-N 526.709 4.647 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 2313631681 WCUQZILMZUXZEB-UHFFFAOYSA-N 527.581 4.655 10 10 KJCE O=C(O)CCCN1C(=O)C(=Cc2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc23)SC1=S 2326945192 IQPSPEJJYFPSLW-UHFFFAOYSA-N 514.028 4.999 10 10 KJCE COc1cc(/C=C2/SC(=S)NC2=O)cc(I)c1OCCOc1ccccc1C 100324152 LVQVRTAWFYSNEG-GZTJUZNOSA-N 527.405 4.555 10 10 KJCE CCOC(=O)C1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(CC)CC)c3)S2)CC1 101013567 HNTVYJKCEZZBDC-OOAXWGSJSA-N 621.785 4.815 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)cc(I)c1OCc1ccccc1C 103566798 HNOFYUXDXZGQDD-PFOSVVTISA-N 546.390 4.826 10 10 KJCE CCCCn1c(N2CCC(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c(C)c(C#N)c1=O 110529378 JTYPWTIXVRCLGJ-BWAHOGKJSA-N 578.760 4.964 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cn(Cc4ccccc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 263629044 QDYRAQMQXLCNMY-WJOKGBTCSA-N 576.722 4.867 10 10 KJCE O=C(O)CCCN1C(=O)/C(=C\c2cn(CC(=O)Nc3cccc(Cl)c3)c3ccccc23)SC1=S 1860826763 MAFHUTULQIUCCN-RGVLZGJSSA-N 514.028 4.999 10 10 KJCE CCCOc1ccc(-c2nc3ccc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)cc3[nH]2)cc1OC 1861868702 VSOHPPSNKDQBEK-UHFFFAOYSA-N 500.599 4.998 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864006928 ARCJPNPISLPGTO-HSZRJFAPSA-N 537.403 4.910 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)NC1CCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864022567 OUMIFKPDFPVTNC-SFHVURJKSA-N 508.541 4.503 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027896 NFUGPQMCZMFXJP-RUZDIDTESA-N 528.996 4.525 10 10 KJCE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865034046 NVXBWZWTEYHWKN-VLIAUNLRSA-N 546.521 4.596 10 10 KJCE COC(=O)c1c(NC(=O)c2nn(-c3ccc(OC)cc3)c(C)cc2=O)sc(C)c1-c1ccc(C)cc1 1866286910 HOKQBLXMMAFEBN-UHFFFAOYSA-N 503.580 4.934 10 10 KJCE COc1cccc(-c2nc(CC(=O)N[C@H](CCSC)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866675379 FFMREUFGRUTRJQ-RUZDIDTESA-N 583.666 4.853 10 10 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529.709 4.681 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1 2314834145 ZKFVGPMFMILQFS-UHFFFAOYSA-N 584.242 4.769 10 10 KJCE O=C1[C@H]2[C@@H](c3ccccc3F)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 18180894 VHIYSHQNGQMGLK-QHAWAJNXSA-N 509.411 4.540 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccccc1)C(=O)c1ccc(C(F)(F)F)cc1 35960538 AFJDTJXYKNXNLD-XMMPIXPASA-N 512.532 4.510 10 10 KJCE O=c1c(-c2cc(O)c(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)c(O)c5)oc34)c2)coc2cc(O)cc(O)c12 85835978 XXYZWVBUFOJKQS-UHFFFAOYSA-N 570.462 4.545 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N(CC)CC 101744453 YYXZNTVXAKHJRK-FYJGNVAPSA-N 548.086 4.532 10 10 KJCE CCN1C(=O)/C(=C/c2nc3ccc(I)cc3c(=O)n2CC)c2cc(Br)ccc21 102761232 KEVIGGXPIDLZDT-RVDMUPIBSA-N 550.194 4.691 10 10 KJCE CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 102779019 SGXOPLITQPSEHR-IYVASWNSSA-N 620.525 4.697 10 10 KJCE 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CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)=C(N)O2 1865034667 BLKKTILGRBQGBX-XVTZWQNCSA-N 537.060 4.758 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867427514 LOMVFOIKYHBMHW-LQJZCPKCSA-N 623.798 4.833 10 10 KJCE CC[C@@](C)(NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867523024 GQQVNGPDCFWWOH-LWQYYNMXSA-N 601.792 4.923 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)Cc3csc(COc4ccc(C)cc4)n3)c3ccccc3)CC2)cc1 1868591172 JJYVZQTVBUSJEJ-WJOKGBTCSA-N 570.715 4.788 10 10 KJCE CCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873420729 VFFFAICEDPKGJV-UHFFFAOYSA-N 515.610 4.888 10 10 KJCE CCc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873426308 ZFGUXAKCCRESJV-UHFFFAOYSA-N 512.654 4.571 10 10 KJCE O=C1Nc2ccccc2C1=Cc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 2297456534 KGVQCWZJUICCNV-UHFFFAOYSA-N 505.315 4.542 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(CC(=O)N4CCCCC4)SC3=NC2=O)ccc1OCc1ccccc1C 2297499761 ZYGJPVBZJPCCQT-UHFFFAOYSA-N 531.638 4.604 10 10 KJCE COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(Cc2ccco2)C1=O 2314509560 WESAFCSRDRLIGN-UHFFFAOYSA-N 505.577 4.798 10 10 KJCE COc1ccc(N2CCN(c3cc(C)nc(SCc4cccc(C(=O)N5CCCC5)c4)n3)CC2)cc1 36053869 NGZJVQCAAYYXEC-UHFFFAOYSA-N 503.672 4.649 10 10 KJCE CC(=O)[C@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(Cl)cc6Cl)O5)cc4)CC3)cc2)c1=O 72131472 GZEZATDDANETAV-MGEYMVMTSA-N 719.630 4.756 10 10 KJCE in-vitro CC1=NN(c2ccc(I)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccc(I)cc2)c1O 100147691 BKXWSZGENRXRIR-YBFXNURJSA-N 610.193 4.902 10 10 KJCE Cc1ccc(S(=O)(=O)O)c(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(C)cc4S(=O)(=O)O)c(O)c3c2O)c1 575125006 HHAYDRCGDCIVTG-UHFFFAOYSA-N 716.706 4.685 10 10 KJCE CCNC(=S)N1CCC[C@@H](C(=O)Nc2sc(C)c(-c3ccc(OCC)cc3)c2C(=O)OCC)C1 1860667919 OQZUUIIGMCVGRH-GOSISDBHSA-N 503.690 4.844 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864010127 IFOQZOLNXAMATA-HFJWLAOPSA-N 540.620 4.817 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864014052 MGKXVNXIAJMXLW-CRICUBBOSA-N 512.610 4.999 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864019642 ODUAXXXVTXVMIU-DEOSSOPVSA-N 504.631 4.605 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865029839 WJZSCOJVGMLZEQ-MWTRTKDXSA-N 523.033 4.843 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865033012 PTEUXFHTEUHULK-IVZQSRNASA-N 509.006 4.595 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccc(OCC(C)C)c4)n(-c4ccccc4)n3)CC2)cc1 1869970076 DWEMNGLAMLRPHR-UHFFFAOYSA-N 526.641 4.890 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(Cc3ccccc3Cl)C2=O)cc1 1873168653 DNHGYANHKKJSMF-UHFFFAOYSA-N 500.002 4.583 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873168908 PCNBJYWCBIGPJK-UHFFFAOYSA-N 530.632 4.868 10 10 KJCE COC(=O)c1cccc(-n2c(C)cc(C=C3SC(=O)N(CC(=O)Nc4ccc(C)cc4)C3=O)c2C)c1 2293986865 AYHVSSZPZHBECD-UHFFFAOYSA-N 503.580 4.864 10 10 KJCE Cc1ccc2nc(N3C[C@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2296541941 RQFLAFDWEBPTED-WOJBJXKFSA-N 518.708 4.929 10 10 KJCE COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=C(C)NCCSCc2[nH]cnc2C)cc1 2313682479 DCNIZCWRFPRHBJ-UHFFFAOYSA-N 518.668 4.884 10 10 KJCE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c1 2314476848 WWPSXJNMXIQGJV-UHFFFAOYSA-N 584.745 4.636 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)O)cc3)C2=O)ccc1O 15044415 KTQKPAVRRIJBRB-QNGOZBTKSA-N 514.625 4.889 10 10 KJCE O=C(O)/C=C\c1ccc(S(=O)(=O)Nc2cc(Cl)c(NS(=O)(=O)c3ccc(/C=C/C(=O)O)cc3)c(Cl)c2)cc1 100446683 QWXZBKMDMAXQRY-JTAXDKCCSA-N 597.454 4.791 10 10 KJCE CN(C)c1ccc(CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 100915221 ZIDCDOIYNJWISM-UUPRAJRISA-N 540.689 4.834 10 10 KJCE COc1ccc(N2CCN(c3cc(C(=O)O)c4cc(NS(=O)(=O)c5ccc(C)cc5C)ccc4n3)CC2)cc1 102314375 ZHAQATSKRJTBED-UHFFFAOYSA-N 546.649 4.686 10 10 KJCE CN(C(=O)CCCN1C(=O)/C(=C\c2ccccc2OC(F)F)SC1=S)c1ccccc1C(=O)O 210498415 FHZDNGCHMOMDBH-QGOAFFKASA-N 506.552 4.631 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3F)[C@@H]2c2ccc(O)c(O)c2)cc1 1864010243 QGXYSMDTBMWJJR-CRYYWNKWSA-N 542.611 4.925 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@H]1c1ccc(O)c(O)c1 1864013069 PKUWVFSZUIUYPF-XMMPIXPASA-N 522.621 4.825 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOCC)=C(N)O2 1864013593 DHIFICYKMOUSPO-SANMLTNESA-N 542.636 4.627 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCCCC1)[C@H]2c1ccc(O)c(O)c1 1864016559 SJWYFTWSVMXTGQ-QHCPKHFHSA-N 502.615 4.905 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864016941 APDROZKHBKZUMD-QFIPXVFZSA-N 537.041 4.614 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865025731 CMIQIAJHTZARAC-VWLOTQADSA-N 531.012 4.658 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026695 RDOPRSHEPZQFTF-XMMPIXPASA-N 541.023 4.929 10 10 KJCE C[C@@H]1CCCN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccc3)[C@H]2c2ccc(O)c(O)c2)C1 1865030784 QZJHBLZJJDVRRC-KBMIEXCESA-N 522.605 4.904 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867829633 IDOBXZZKZSQFCC-FQLXRVMXSA-N 534.651 4.715 10 10 KJCE COCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CC[C@H](c3ccc4c(c3)OCO4)C2)n1 1868254104 DOKMKVNRYKBSDV-FQEVSTJZSA-N 548.599 4.907 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)c3ccccc3)CC2)cc1 1868673056 IMYWRYPUBGHNBD-CONSDPRKSA-N 534.660 4.623 10 10 KJCE CCOCCCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccc(C(=O)OCC)cc2)C1=O 1873170293 UNWDXKFYRLRXFW-UHFFFAOYSA-N 529.637 4.567 10 10 KJCE O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1 2405285 ZXIFTSOUBHTMSJ-NCELDCMTSA-N 547.706 4.780 10 10 KJCE COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccc(OC)cc3OC)CC2)cc1 9251208 JMFZGGRFLUEHQW-UHFFFAOYSA-N 515.566 4.673 10 10 KJCE COC(=O)c1ccccc1NC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCCC3)C2=O)cc1OC 101573905 IXWNDJXEIVDJMJ-HMAPJEAMSA-N 526.636 4.643 10 10 KJCE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)/C(=C/c2c3ccccc3cc3ccccc23)SC1=S 101971590 UYTSRXLMVWTKAS-PHQOBFFQSA-N 547.683 4.869 10 10 KJCE CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c1O 103582624 KDSAZIRPLGEFTR-CTNGQTDRSA-N 536.632 4.704 10 10 KJCE CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 103813632 HMUJPPLUQFZJDI-GDNBJRDFSA-N 522.193 4.894 10 10 KJCE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110528713 GSNAQKSNPKRBIP-JWGURIENSA-N 544.743 4.911 10 10 KJCE CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)ccc1OCC(=O)O 210939313 PAKPFDZJDHBSAP-IWIPYMOSSA-N 564.641 4.674 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(N3C[C@H](C)O[C@@H](C)C3)nc3ccccn3c2=O)SC1=S 1772719562 TWKQTXUIMLUBMK-GDJKQPPSSA-N 514.717 4.726 10 10 KJCE Cc1ccc(C(=O)CCC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 1860599149 WDNJGQVEWSVCPN-UHFFFAOYSA-N 508.574 4.611 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 1862119542 PQRXDYHQBAAWDA-HHHXNRCGSA-N 503.668 4.563 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864010164 JEWLRIZPEKWNIJ-DEOSSOPVSA-N 531.012 4.900 10 10 KJCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864013938 JOXMTEGWRSYRBO-GAJCKYOHSA-N 520.674 4.682 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)cc1 1864016326 MLASEMQMMBVJHO-DEOSSOPVSA-N 510.594 4.537 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864016579 SQCCIVZGBOYVPQ-UQBPGWFLSA-N 524.621 4.927 10 10 KJCE CCc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864018879 SYEOHTRXTOTQBA-QFIPXVFZSA-N 543.451 4.965 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865029079 FSHOYLSIVSXCRV-MHZLTWQESA-N 536.632 4.824 10 10 KJCE CC[C@@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866695416 IVUUFFBKNZOPNX-CLJLJLNGSA-N 517.585 4.717 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)N2CCCCC2)cc1 1867692340 FAQQQSLUKMEUTL-SZAHLOSFSA-N 728.381 4.802 10 10 KJCE CC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867713105 NEXVNBDGKFFVKZ-ZEQRLZLVSA-N 505.490 4.911 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](NC(=O)[C@H](c3ccc(F)cc3)C(C)C)c3ccccc3)CC2)cc1 1868851334 IFCXBVYFSHAISA-WUFINQPMSA-N 503.618 4.780 10 10 KJCE CCC(=O)Nc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCN(C)CC3)C2=O)cc1 1873427680 WHMZFRSKFRNUKV-UHFFFAOYSA-N 525.653 4.729 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(C)=O)C2=O)cc(Br)c1OCc1ccccc1Cl 2297458076 FSKKRVNWZFDYFL-UHFFFAOYSA-N 527.849 4.942 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 2297499628 QKTAMIQMHOQDCV-UHFFFAOYSA-N 547.980 4.719 10 10 KJCE CN1C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297508871 UEAUJJGQRREWFW-UHFFFAOYSA-N 548.064 4.881 10 10 KJCE CN(C)c1ccc(CN(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 2314430389 ZIDCDOIYNJWISM-LJAQVGFWSA-N 540.689 4.834 10 10 KJCE COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(Cl)c1OCCOc1ccccc1 20154694 XUCQCBOHCAVWPL-WTZVULCFSA-N 503.005 4.746 10 10 KJCE CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\NN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 101118134 FSKATTRIIQZVHW-WQRHYEAKSA-N 554.198 4.772 10 10 KJCE CC1(C)C(/C=C/C=C2/N(CCCCCC(=O)O)c3ccc(S(=O)(=O)O)cc3C2(C)C)=[N+](CCCS(=O)(=O)O)c2ccc(S(=O)(=O)O)cc21 200382036 YKIORPIGLHLLKN-UHFFFAOYSA-O 725.884 4.717 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012501 BCNKISQYVBCTLH-SANMLTNESA-N 548.684 4.538 10 10 KJCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)cc1 1864022536 OEKHNMSYZWJWAG-JLTOFOAXSA-N 546.546 4.550 10 10 KJCE O=C(Cc1cc(-c2ccccc2)on1)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866914644 ZJLXBZVFOSZMKW-MUUNZHRXSA-N 571.589 4.731 10 10 KJCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867424623 WIKHATIKBVJACS-JHOUSYSJSA-N 623.798 4.689 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(C(F)(F)F)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873425526 CZIDKCDBENRJOH-UHFFFAOYSA-N 538.570 4.637 10 10 KJCE COc1ccccc1OCCn1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)c2ccccc21 2296641276 LJWGGOFRPOOSBA-UHFFFAOYSA-N 522.590 4.791 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(Br)cc1OCc1cccc(F)c1 2313555955 GJNNSPNYESFLJD-UHFFFAOYSA-N 569.339 4.571 10 10 KJCE Cc1ccc(-c2ccc(C=C3SC(=S)N(c4cc(C(=O)O)cc(C(=O)O)c4)C3=O)o2)c([N+](=O)[O-])c1 2314539619 XECSXAAOCXAIDZ-UHFFFAOYSA-N 510.505 4.965 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCSCC3)nc12 2360089 CWDAJIMSBCKRAL-AWZALFRUSA-N 508.694 4.519 10 10 KJCE C[C@@H]1C[C@@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)C1 39729305 ODEUHOYCJSUCNC-XXXRSFMGSA-N 508.644 4.717 10 10 KJCE Cc1c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(N2CCN(c3ccccc3F)CC2)n(C)c(=O)c1C#N 110520186 DYIMIQBHNIXJOL-OVZSPSEASA-N 573.719 4.994 10 10 KJCE O=C(O)CCCCCN1C(=O)/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)SC1=S 210659825 ZURLTDRAIYOZIP-XSFVSMFZSA-N 502.589 4.689 10 10 KJCE Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(I)cc(I)c3OC(C)C)C2=O)c1C 1084580610 PHCCRPBKWWHMGT-CXUHLZMHSA-N 630.220 4.966 10 10 KJCE Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(I)cc1 1084590096 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4.623 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868706804 NUAZYPLRHJMUQP-IZZNHLLZSA-N 515.695 4.551 10 10 KJCE COc1ccc(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c(OCCOc2cc(-c3c4cc(F)c(=O)cc-4oc4cc(OCOC(C)=O)c(F)cc34)ccc2NCC(=O)OCOC(C)=O)c1 2069595621 KMLHLVARODXKDJ-UHFFFAOYSA-N 982.848 4.619 10 10 KJCE CN(C)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(C3CCCC3)C2=O)c1 2296848595 IVUHXBAPLAYESG-UHFFFAOYSA-N 538.720 4.933 10 10 KJCE COc1ccc(OCCn2cc(C=C3C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c3ccccc32)cc1 2297458287 JJVXELTXDSDXRK-UHFFFAOYSA-N 527.602 4.569 10 10 KJCE O=C(CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 2314436824 JVODXJRVYUONSE-UHFFFAOYSA-N 556.716 4.730 10 10 KJCE COc1cc(C=C2SC(=S)N(C)C2=O)ccc1OCC(=O)Nc1nnc(CSc2nc3ccccc3o2)s1 2314487145 CQCIEXDJISZBTC-UHFFFAOYSA-N 585.714 4.829 10 10 KJCE CC(=O)NCCN1C(=O)C(=Cc2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC1=S 2323719825 IQLNVJZFLHBVDQ-UHFFFAOYSA-N 500.045 4.711 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(Br)c1OCCC(C)C 40937779 YKHDQFWOHSAVOV-LFIBNONCSA-N 502.452 4.949 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1cccc(OC)c1 101458884 CYZPXGUTWOXHRH-HZHRSRAPSA-N 581.419 4.981 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(C(=O)OCC(C)C)cc3)[C@H]2c2ccc(O)c(O)c2)c1OC 526516979 RMYCWQNYWOJUMG-VWLOTQADSA-N 519.550 4.985 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cccc(Br)c4)CC3)ccc21 1860588608 UIZVXQFDUUFPAI-UHFFFAOYSA-N 517.379 4.715 10 10 KJCE COc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC2CCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014452 VJGFPPKUHFZJIZ-RUZDIDTESA-N 538.604 4.713 10 10 KJCE COc1cc(OC)cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c1 1867383930 ZLRKHUUGYBSVHB-IOWSJCHKSA-N 576.713 4.593 10 10 KJCE CCCc1nc(N2CCN(C/C=C/c3ccccc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1867977141 XPGKOJUTANQFFZ-YRNVUSSQSA-N 512.702 4.600 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(OC)c(C)c3)C(C)C)C(C)C)CC2)cc1 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CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)O)C2=O)cc(Br)c1OCC(=O)N(CC)CC 101731228 KCVWSOYVEVCVDY-XMHGGMMESA-N 587.558 4.941 10 10 KJCE CCOC(=O)c1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)=NC2=O)cc1 102370460 NBIGLIQXWJDLCF-ILBGXUMGSA-N 542.617 4.747 10 10 KJCE COc1cc(OC)c(CN2C(=O)c3ccccc3C2=O)cc1/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 102546011 UYSNGBZFJCENHN-MTJSOVHGSA-N 590.386 4.769 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 103863670 CFCIUYVYUVOUEX-STGXNMSHSA-N 567.711 4.790 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 1084205519 HWYMWYRDNUGWHM-XNTDXEJSSA-N 516.691 4.937 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864018279 HPAIWGYOZGYZPY-VWLOTQADSA-N 532.616 4.745 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccccc1)=C(N)O2 1864018483 LYPDJOUPYWVKAU-GKVSMKOHSA-N 528.584 4.616 10 10 KJCE 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1873426303 ZCSHFSLXDWDHEI-UHFFFAOYSA-N 530.694 4.730 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccccc1F 2293347198 WLXBTQAJXREGGH-UHFFFAOYSA-N 525.330 4.842 10 10 KJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 2294133916 MNEFXOZVPGEMJX-UHFFFAOYSA-N 535.350 4.701 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCCCCC4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314400679 QEOLBAXBUJGRET-UHFFFAOYSA-N 534.707 4.836 10 10 KJCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@H](C)c2ccccc2)C1=O 2314414017 NQXZURPYMARSKG-GOSISDBHSA-N 508.669 4.804 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CC)C3=O)c2)CC1 2314476249 LLWCGYRSXQSCIG-UHFFFAOYSA-N 610.783 4.724 10 10 KJCE COc1ccc(N2CCN(c3cc4c(cc3[N+](=O)[O-])C(=O)N(c3cccc5c3CCCC5)C4=O)CC2)cc1 20760156 XBCBOGLAIYWMHA-UHFFFAOYSA-N 512.566 4.609 10 10 KJCE Cc1ccc2nc(N3CCCCCC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 100850931 AHPCPEMNZWADFR-HAVVHWLPSA-N 586.743 4.587 10 10 KJCE 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Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@H]2C)[C@H]3c2ccc(O)c(O)c2)c1 1864012419 ZKUTVFFNZIQORT-WTSFKKHRSA-N 516.642 4.657 10 10 KJCE NC1=C(C(=O)NC2CC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2O1 1864014135 NZJLCHPYXHWCFD-QFIPXVFZSA-N 514.969 4.577 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031651 LLLKUOHHIOWQCN-IXFSTUDKSA-N 502.615 4.570 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC(C)CC2)=C(N)O3)cc1 1865032938 OHXKYPQEVKTDQJ-DEOSSOPVSA-N 532.641 4.579 10 10 KJCE NC1=C(C(=O)N2CCCCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(Cc3ccccc3F)c2O1 1865034294 SSORKSGUVYWKLQ-FQEVSTJZSA-N 546.521 4.598 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCC[C@@H]2C)[C@H]3c2ccc(O)c(O)c2)cc1 1865034521 YCXGZZRRBBIFIW-KKSFZXQISA-N 542.558 4.765 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccccc4)[C@H]3c3ccc(C)cc3)CC2)cc1 1865184106 KCKSAPRELRWLMU-GDLZYMKVSA-N 549.675 4.600 10 10 KJCE 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SIMUPKWDNZENJL-UHFFFAOYSA-N 524.693 4.545 10 10 KJCE Cc1ccsc1CN(C(=O)CCN1C(=O)C(=Cc2ccc(Cl)cc2)SC1=S)[C@@H]1CCS(=O)(=O)C1 2314600244 UGPUTVDJIJPOFB-GOSISDBHSA-N 555.168 4.517 10 10 KJCE CC[C@H](C)N1C(=O)/C(=C\c2c(NC3CC(C)(C)NC(C)(C)C3)nc3ccc(C)cn3c2=O)SC1=S 25580900 BJIJDJKUTPXOAM-ZVCOJXFSSA-N 513.733 4.724 10 10 KJCE Cc1c(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C 35517187 PLZGSHIOAFKJJY-KGENOOAVSA-N 517.588 4.848 10 10 KJCE COc1ccc(/C=C\C(=O)Oc2cc3c4c(c2)/C(=C2\SC(=S)NC2=O)C(=O)N4C(C)(C)C=C3C)cc1OC 101596394 MEOKBJCGRLBWAG-BNMQGJAHSA-N 548.642 4.724 10 10 KJCE CCOC(=O)c1ccc(N2N=C(C(F)(F)F)/C(=C\c3cc(Br)c(O)c(OC)c3)C2=O)cc1 103638625 RMFBHSJMKKLQMX-RIYZIHGNSA-N 513.266 4.689 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1 213161131 PYMCVZOGFLQJTI-UYRXBGFRSA-N 509.609 4.595 10 10 KJCE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](Cc2c[nH]c4ccccc24)(C(=O)O)N[C@H]3c2cc(Br)ccc2O)cc1 251999582 LXCSJHFRKPGXRU-YRIIQKNPSA-N 588.458 4.715 10 10 KJCE 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501.627 4.725 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc(F)cc1 2296065504 RWLZSBOPHZUWCV-UHFFFAOYSA-N 501.543 4.866 10 10 KJCE Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)C2=O)cc1C 2313571208 PUPNBBGWYJDXAA-UHFFFAOYSA-N 539.373 4.982 10 10 KJCE CCCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 40066865 ZUUMQPJNLRNWQA-ZIHVZMLCSA-N 526.659 4.570 10 10 KJCE Cc1ccc2nc(N3CCCCCC3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100851015 DGWMMFLIIJJFRI-LPYMAVHISA-N 534.663 4.513 10 10 KJCE COC(=O)c1cc(OC)c(OC)cc1N/C(C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccc(OC)cc1 205970604 ZAEIIKRUXMXMMP-PCLIKHOPSA-N 546.536 4.544 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)c4ccc(Br)cc4)CC3)cccc21 1860588176 KFTGAUZZTZIKST-UHFFFAOYSA-N 517.379 4.715 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccccc2)sc(C)c1-c1ccc(Br)cc1 1860757911 BHKJMPCVVHYBQO-UHFFFAOYSA-N 501.402 4.918 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864020112 WGRGHEYYIMEWKK-XMMPIXPASA-N 547.011 4.519 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC[C@@H](C)C1)[C@H]2c1ccc(O)c(O)c1 1865031763 NSNTVPIJUNFNJG-JPYJTQIMSA-N 502.615 4.570 10 10 KJCE CCc1sc(NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)c(C(=O)OC)c1-c1ccc(Br)cc1 1866239781 UZDUGZPKUWHUAI-HNNXBMFYSA-N 568.490 4.624 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N([C@H](Cc2ccccc2)C(=O)O)C3=O)N2CCCCC2)cc1 1867628477 LCYNUKUZEADERB-RQOYOAKWSA-N 733.841 4.868 10 10 KJCE COc1cccc(CCN2CCN(c3cc(Nc4cccc5c4C(=O)c4ccccc4C5=O)nc(C)n3)CC2)c1 1868480487 BYWAUNUKEBVHKP-UHFFFAOYSA-N 533.632 4.677 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 2296696365 MFUCFULBZSTMIY-UHFFFAOYSA-N 581.767 4.769 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCc4ccccc4C3)nc3ccc(C)cn3c2=O)SC1=S 2296849760 ODAYWURFQFWUNJ-UHFFFAOYSA-N 504.681 4.957 10 10 KJCE COc1ccc(N2C(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)c(OC)c3)SC2=S)cc1 33923030 KHSOHKYOSZMACM-JCMHNJIXSA-N 513.618 4.877 10 10 KJCE CCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 39989900 IBBLHVKGPGIPIW-HAHDFKILSA-N 522.696 4.839 10 10 KJCE Cc1ccc(OCCn2cc(/C=C3/C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c3ccccc32)cc1 101378785 RBPXAZAGWPDPFY-TURZUDJPSA-N 557.672 4.567 10 10 KJCE CCCCCN1C(=O)/C(=C2\SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)c2ccccc21 101745014 XZZFYMALKQRLBK-HNENSFHCSA-N 530.469 4.902 10 10 KJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110528514 VYMNXZOVDROHSJ-QRVIBDJDSA-N 536.679 4.559 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(CN3C(=O)[C@@H]4[C@H](C(=O)O)N[C@@H](c5ccc(/C=C/c6ccccc6)cc5)[C@@H]4C3=O)ccc21 247444459 YEGPNAIJMBWMIA-ANHBFCHBSA-N 582.612 4.531 10 10 KJCE CCCn1c(=C2C(=O)N(c3ccccc3)N=C2C)sc(=C/C=C2\Sc3ccc(Cl)cc3N2CC)c1=O 252622256 NRIQXXJGMHYCDH-MQZQBHCYSA-N 537.110 4.801 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864015070 IZTHNCLZNJHLOK-KPZWWZAWSA-N 536.938 4.624 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865030225 GJFPDCJPBTVASR-BCHFMIIMSA-N 530.669 4.865 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865030701 OXFPOODLWXQJTH-RPPIVITFSA-N 534.632 4.633 10 10 KJCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867418832 VYRZYLYYRDXFBQ-CZNDPXEESA-N 641.788 4.828 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4ccccc4Cl)n3)CC2)cc1 1869242947 UYNWZQHKCGJAMQ-LJAQVGFWSA-N 573.072 4.949 10 10 KJCE CCCCNC(=O)COc1cn(C[C@@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870952856 PKGITSLCVYYTJQ-SANMLTNESA-N 504.631 4.678 10 10 KJCE Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(N3CCC(C(N)=O)CC3)=NC2=O)ccc1OC(C)C 2040467114 YECDAYYNETZZEQ-UHFFFAOYSA-N 529.666 4.803 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)ccc1OCCOc1ccc(C)c(C)c1 100229053 AYPUIWYIIJLUDR-KOEQRZSOSA-N 530.577 4.835 10 10 KJCE COc1ccc(C(=O)Oc2ccc(/C=C3\C(=N)N4N=C(c5cccnc5)SC4=NC3=O)cc2Cl)cc1 103621885 JTGYWSPVBIFUCF-DZCSLESKSA-N 517.954 4.630 10 10 KJCE CCOc1c(I)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1OC 104059783 XHNDUHIGWAVEBI-SDQBBNPISA-N 577.227 4.837 10 10 KJCE O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1cn(CCOc2ccc3c(c2)OCO3)c2ccc(Br)cc12 104881896 URKADCSJCFRPNN-FMCGGJTJSA-N 588.414 4.874 10 10 KJCE CC1CCC(Nc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)CC1 109967835 YGXQCJUAQHYQLY-XKZIYDEJSA-N 534.663 4.815 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 110555808 QQABLHYVENWSJQ-IPLHSMHLSA-N 602.738 4.610 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C/c4cccc(OCCC(=O)O)c4)SC3=S)cc2)cc1 210853385 CMAFMJICZFOUJO-JLPGSUDCSA-N 548.642 4.974 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(N(CC)CC)cc2)ccc1OC 526311564 GQAABIRWZWQYNG-MHZLTWQESA-N 551.665 4.645 10 10 KJCE CCOC(=O)c1ccccc1N1C(=O)C(O)=C(c2ccc(OC)c(OCC)c2)[C@H]1c1ccc(O)c(O)c1 526528260 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CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865029657 SCPHISLXISYRCH-XMMPIXPASA-N 504.631 4.888 10 10 KJCE CC(C)N(Cc1ccccc1)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865031162 AKIHRLKFFCRJBW-DEOSSOPVSA-N 510.594 4.630 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6c(F)cccc6[C@H]5C4)nc(-c4ccccc4C)n3)CC2)cc1 1869159800 KVZRGAJPPZYEQR-SSEXGKCCSA-N 578.692 4.872 10 10 KJCE O=C1N=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)SC1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 2296166993 LWMBPTYEFOIHOI-UHFFFAOYSA-N 505.512 4.556 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(CC(C)C)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 2297347346 RGCHXFIZBHKFQO-UHFFFAOYSA-N 535.626 4.777 10 10 KJCE O=C1C(=Cc2c(Oc3ccccc3F)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314506950 HKMHDTVTFJVVJR-UHFFFAOYSA-N 533.562 4.756 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(CC)CC2)SC1=S 33812500 PDHNVPHELYAHOB-AOMYKUFJSA-N 529.776 4.608 10 10 KJCE 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CCCOC(=O)CCCCCN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)OCCC)C2=O)SC1=S 2296880034 RJYJIZCGJRHTRN-UHFFFAOYSA-N 574.812 4.946 10 10 KJCE CCOc1cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc(I)c1OCC(=O)NCc1ccccc1 2297104921 OYBQVRGVIJKWAF-UHFFFAOYSA-N 639.446 4.889 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 2313549454 WTXAECJWKWLYTA-UHFFFAOYSA-N 584.366 4.554 10 10 KJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(C)cc4)s3)C2=O)cc1 2314578650 XHQLFTLCBQRXCW-UHFFFAOYSA-N 528.706 4.987 10 10 KJCE CC1CCC(OC(=O)Cn2cc(C=C3SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)CC1 2326945366 BHYAXFUAOQDVGZ-UHFFFAOYSA-N 500.642 4.829 10 10 KJCE CCn1c(N2CCC[C@@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989703 HPHZMWGVLCGBIR-OYADDEIPSA-N 506.697 4.729 10 10 KJCE CCOc1ccc(N2C(=O)/C(=C\c3cn(CC(=O)NCc4ccco4)c4ccccc34)C(O)=NC2=S)cc1 53226434 APFHFWYIJJQGBC-UCQKPKSFSA-N 528.590 4.621 10 10 KJCE Cc1ccc2nc(NCCc3ccccc3)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100886191 MOSXCFHPGTYEGN-ZVHZXABRSA-N 556.669 4.788 10 10 KJCE N#Cc1ccccc1[C@@H]1N[C@](Cc2ccc3ccccc3c2)(C(=O)O)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@H]12 150600854 CSJAEWVHVILVCW-CPWQXHPVSA-N 645.671 4.999 10 10 KJCE O=C1[C@@H]2[C@H](/C=C/c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 227503921 MJWQMDAPCMJKCR-UCCAZVQBSA-N 517.459 4.741 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(O)c(O)c2)cc1 526389253 VKWDQGQTDBHJSJ-MUUNZHRXSA-N 515.610 4.696 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 1084052520 ALHGPBIUMIJGAX-MUUNZHRXSA-N 547.721 4.777 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCCCCc2ccccc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008136 DAYOANVINISJSX-HHHXNRCGSA-N 524.621 4.734 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864009962 GVZPODBLNPKHLI-HHHXNRCGSA-N 538.648 4.988 10 10 KJCE CC(C)Cn1nc(C(F)(F)F)c2c1OC(N)=C(C(=O)N[C@@H](C)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864021431 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4.728 10 10 KJCE COCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3nc(-c4ccc(OC)cc4)cs3)ncnc21 1875225834 KEUYQGUJJYMMMA-UHFFFAOYSA-N 627.771 4.835 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)C(=O)NC2=S)c(OC)c1 2313543752 GUAQQMOSRBNXRW-UHFFFAOYSA-N 587.439 4.547 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 2313560236 NMVQCHKCDNXOOM-UHFFFAOYSA-N 556.369 4.907 10 10 KJCE COc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(C(=O)O)c1OC 2314929108 HGFURWMPQJIIHH-UHFFFAOYSA-N 564.641 4.836 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCCOc1ccccc1 101496635 AFUGSJKOTSUBLI-CJLVFECKSA-N 551.393 4.972 10 10 KJCE CCN1/C(=C\C=c2\s/c(=C3\SC(=S)N(C)C3=O)n(CC)c2=O)C(C)(C)c2cc(-c3ccccc3)ccc21 101955479 NKJFAAYGWSYTCH-AOZDLYTESA-N 547.771 4.677 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@H]1c1ccccc1 1084523209 FOBFNMAQSYMANN-MHZLTWQESA-N 588.527 4.764 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012542 CRUGZDOXXLROJA-HHHXNRCGSA-N 538.648 4.923 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016576 SQCCIVZGBOYVPQ-CLOONOSVSA-N 524.621 4.927 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1865032366 AWPBHMNEXQOWCL-RUZDIDTESA-N 534.657 4.978 10 10 KJCE CCCC[C@H](NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867031992 UWIGZGDWHSNWJJ-AHWVRZQESA-N 550.615 4.989 10 10 KJCE CCCC[C@@H](NC(=O)C[C@H]1CC(=O)c2ccccc21)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867240752 IAZDAIYCJFQUQT-IQGLISFBSA-N 508.574 4.836 10 10 KJCE CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867409254 ZUSPQZVPJJCBKM-LOSJGSFVSA-N 517.139 4.601 10 10 KJCE CCOc1ccc(C(=O)N[C@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867539365 CSDQVVNCYSVWRS-SAIUNTKASA-N 600.760 4.761 10 10 KJCE Cc1c(C(=O)N[C@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-] 1867816808 UGRPYQFWBNQOHO-VMPREFPWSA-N 588.665 4.692 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc([N+](=O)[O-])c(C)c2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867870624 ZURIVTBHSZBLKM-CDZUIXILSA-N 615.731 4.579 10 10 KJCE CCOCCCN1C(=O)C(NCc2ccc(C(=O)OC(C)C)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165780 VEJIBYWFEXULIE-UHFFFAOYSA-N 543.664 4.956 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873424412 FJIJWYDTVVCNEV-UHFFFAOYSA-N 560.720 4.566 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)c(C(=O)O)c1OC 59815010 HGFURWMPQJIIHH-HYARGMPZSA-N 564.641 4.836 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C(=O)Nc4ccc(Cl)cc4Cl)c3)CC2)cc1 98049753 TWMMBYKRXFWNFZ-UHFFFAOYSA-N 538.428 4.904 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 150451303 BBIOEVMDEWZVMS-VFCFBJKWSA-N 663.829 4.529 10 10 KJCE CC1=NN(c2cc(Cl)c(S(=O)(=O)O)cc2Cl)C(=O)[C@H]1N=Nc1cc(Nc2nc(Cl)nc(Nc3cccc(S(=O)(=O)O)c3)n2)ccc1S(=O)(=O)O 255966330 CBYJYUPPRYTYSA-NRFANRHFSA-N 807.032 4.934 10 10 KJCE COc1ccc(N2CCN(C(=O)CCCCCN3C(=O)c4ccccc4N4C(=O)c5c(ccc(OC)c5OC)[C@H]34)CC2)cc1 606680455 PUFJMZIXSAYXTE-JGCGQSQUSA-N 598.700 4.736 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014709 ASAWQHIJCLNXJG-HXUWFJFHSA-N 530.547 4.527 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1cccs1 1865325455 AJFDDIBDZFMABW-XMMPIXPASA-N 541.677 4.684 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868614669 UVEPJRQSWGJQHU-PMERELPUSA-N 554.716 4.867 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C3(c4ccc(N)cc4)CCCCC3)c3ccccc3)CC2)cc1 1868930062 WAGBKLWSGJHYNY-LJAQVGFWSA-N 526.681 4.686 10 10 KJCE COc1ccc(N2CCN(c3cc(N(CCN4CCN(C)CC4)c4ccccc4Cl)nc(C(C)C)n3)CC2)cc1 1869099537 FBCHGEFPQCBVSS-UHFFFAOYSA-N 564.178 4.974 10 10 KJCE COc1cccc(C(=O)Oc2ccc(/C=C3\SC(=S)N(NC(=O)c4ccc(C)cc4)C3=O)cc2)c1 1450750 KBXVWKBMGHNMEK-HMAPJEAMSA-N 504.589 4.769 10 10 KJCE COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3[C@H]3C=CC[C@@H]32)ccc1OC(C)=O 14468695 BCVUHNTUGLMQFA-LXWOLXCRSA-N 504.608 4.926 10 10 KJCE C=CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCN(c3ccccc3F)CC2)SC1=S 110531307 HXYYPIWYBWMQDI-ULJHMMPZSA-N 551.713 4.681 10 10 KJCE COc1cc(/C=C2\SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc(OC)c1OC 1083908363 PPGGFUJTYQRUBT-ZDLGFXPLSA-N 556.447 4.896 10 10 KJCE CCN(CC)C(=O)COc1ccc(-c2c(C)sc(NC(=O)C(=O)NC3CCCCCC3)c2C(=O)OC)cc1 1860763450 GMJHPOBYEATYAB-UHFFFAOYSA-N 543.686 4.535 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864009612 CBIBDHXSRRLOTI-RUZDIDTESA-N 528.584 4.695 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864012993 NPMUJZIMNIHFHK-SANMLTNESA-N 542.611 4.754 10 10 KJCE CC(C)CNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864016157 IQRYWRUJBGAMKF-XMMPIXPASA-N 528.584 4.616 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865035444 UDBKTTAORIYFNY-QMHKHESXSA-N 523.033 4.512 10 10 KJCE CSCC[C@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867056745 IJIFFZABALBCNJ-QHCPKHFHSA-N 570.696 4.790 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(OC)c5)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869197841 VPYRXQLUVQCJMK-UHFFFAOYSA-N 564.734 4.852 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(NCCc3ccc(F)cc3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873162199 KAUKPGCYIOLLOC-UHFFFAOYSA-N 558.654 4.766 10 10 KJCE COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c2ccccc21 2297548890 FERDKRJBOPAGPE-UHFFFAOYSA-N 537.616 4.949 10 10 KJCE O=C1C(=Cc2c(N3CCCc4ccccc43)nc3ccccn3c2=O)SC(=S)N1Cc1ccc2c(c1)OCO2 2314414478 ZZHQGVNJRZKKRY-UHFFFAOYSA-N 554.653 4.909 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c1 2314504512 XRPYOWZXCAMTQD-UHFFFAOYSA-N 581.679 4.999 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(O)cc3O)SC2=S)cc1 15044399 DIAVIWGCTNJZKT-STZFKDTASA-N 514.625 4.675 10 10 KJCE O=C(O)[C@H](CCCCN1C(=O)/C(=C\c2ccco2)SC1=S)N1C(=O)/C(=C\c2ccco2)SC1=S 101456467 HEIMZAMZRQWTDY-SRTJTNEBSA-N 534.662 4.599 10 10 KJCE CCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)c(C#N)c1=O 110523342 PQEAZBSWMAPVTP-ONUIUJJFSA-N 573.719 4.915 10 10 KJCE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](c3ccc(Br)cc3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C1=O 253575371 UMYPTLFVVAEZIW-MJXTXFFVSA-N 530.374 4.701 10 10 KJCE CC[C@@H]([C@H](C)OC(=O)CCC(=O)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 1848435917 PNRABLJKLZSNNS-VBDJOCTDSA-N 800.864 4.989 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864020283 XTVHAOZXOZCOMO-MHZLTWQESA-N 538.648 4.575 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864021448 BYSGUEFAHWWMIY-GKVSMKOHSA-N 540.620 4.641 10 10 KJCE CCCC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867686431 WVOBPAHAASCHKL-JDXGNMNLSA-N 544.744 4.945 10 10 KJCE CCCOC(=O)c1ccc(CN2C(=O)C(NCCCOCC)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873170442 ZPTLGICZXCRGTC-UHFFFAOYSA-N 543.664 4.957 10 10 KJCE NS(=O)(=O)c1ccc(NC(=O)CCN2C(=O)C(=Cc3c4ccccc4cc4ccccc34)SC2=S)cc1 2314827839 NIYQVHOBEIERRT-UHFFFAOYSA-N 547.683 4.870 10 10 KJCE CCOC(=O)c1c(NC(=O)CN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)sc2c1CCCC2 13306746 FQOWXRMYIHKFPU-LDADJPATSA-N 500.667 4.952 10 10 KJCE Cc1c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 110519147 YMRRPEFYHDERED-IVKFTBJLSA-N 569.756 4.850 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1OC 150432291 GMISHANBNGESDN-NHFJDJAPSA-N 631.755 4.621 10 10 KJCE Oc1c(Br)cc(Br)cc1[C@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1 575260453 ACRLDWWISWCANS-INIZCTEOSA-N 510.148 4.810 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(CC)CC)cc3O)c(=O)n2[C@@H]1c1ccc(F)cc1 1084466761 RZTVTTFGFYJKRK-GDLZYMKVSA-N 571.674 4.627 10 10 KJCE Cc1ccc(-n2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)NCc2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864015582 SAIZBDSUFHRJLW-NRFANRHFSA-N 536.510 4.622 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865026459 NZJJNMJBEMMSJC-QHCPKHFHSA-N 526.996 4.541 10 10 KJCE COc1cccc(-c2nc(CC(=O)NC(C)(C)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)c(C)o2)c1 1866673107 BPOIEVKUAYVQDV-UHFFFAOYSA-N 537.572 4.510 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](NC(=O)c2ccc(F)c(F)c2F)c2ccccc2)N2CCCCC2)cc1 1867810871 AENNZBNOZAOHAM-LBNVMWSVSA-N 538.614 4.984 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2I)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867860942 JKAAGMOKIVBIBT-CONSDPRKSA-N 682.603 4.967 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1867993076 NLHJKPKVWPROPV-UHFFFAOYSA-N 566.706 4.823 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)CCN5CCCC5)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1869349196 FAJADVPTPUOLIE-UHFFFAOYSA-N 611.835 4.911 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCOc3ccccc3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873164562 HOPLXWYBLSVXEN-UHFFFAOYSA-N 521.617 4.922 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccccc4OC)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296154576 MCSWDIMHFHWWAR-UHFFFAOYSA-N 563.749 4.730 10 10 KJCE C[C@H](C(=O)NCc1ccccc1)N1C(=O)C(=Cc2cc(Br)cc(Br)c2O)SC1=S 2314836735 JFJKYBURLUTXBE-LLVKDONJSA-N 556.301 4.823 10 10 KJCE O=C(CCCN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S)Nc1ccc(C(=O)O)cc1 15039991 PZIOFABFXXLBHK-ATVHPVEESA-N 505.415 4.767 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1OC 1858588184 ULVYJLRDTYAKRP-BTZNOAQDSA-N 503.598 4.615 10 10 KJCE C[C@H](NC(=O)Cn1cc(/C=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21)c1ccccc1 1860826798 NEKLCOILPBCWHW-NIZGNDASSA-N 507.637 4.585 10 10 KJCE CCCC[C@H](NC(=O)Cc1cc(Cl)ccc1SC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1861898453 ZAVYLIXIMODWDR-QHCPKHFHSA-N 504.096 4.637 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865031392 FVFOGJBMAZJCER-HSZRJFAPSA-N 502.615 4.715 10 10 KJCE CCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866837199 BGTJOIXOJSLKDZ-VWLOTQADSA-N 520.589 4.802 10 10 KJCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867424624 WIKHATIKBVJACS-LQJZCPKCSA-N 623.798 4.689 10 10 KJCE Cc1ccc(N2C(=O)c3ccc(C(=O)N[C@H](C)C(=O)NC[C@@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)c(C)c1 1867539615 LUPHXDPVECHZGI-XJFCNFDWSA-N 595.744 4.632 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@H](c3cccnc3)C2)n1 1868386886 KNNWDHRALWKUGJ-DEOSSOPVSA-N 505.578 4.921 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCNC(=O)[C@H]4c4cn(C)c5ccccc45)nc(Cc4ccccc4)n3)CC2)cc1 1869087247 YDEUGEWWUVVSHP-UUWRZZSWSA-N 587.728 4.572 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCN(C)CC4)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873420296 KTYWPHNWQCYEEZ-UHFFFAOYSA-N 555.723 4.853 10 10 KJCE COc1ccc(N2CCN(CCC(=O)c3ccc(OC(=O)c4cc(Cl)ccc4OC)cc3)CC2)cc1 1874741814 YPALMLXCTVNADQ-UHFFFAOYSA-N 509.002 4.971 10 10 KJCE Cc1c(NC(=O)CCCN2C(=O)C(=Cc3ccccc3Cl)SC2=S)c(=O)n(-c2ccccc2)n1C 2295927478 TXUGTSLIXSTQDW-UHFFFAOYSA-N 527.071 4.758 10 10 KJCE O=C1C(=C2C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1C[C@@H]1CCCO1 2296714164 AWBLPFIMSDNFBV-INIZCTEOSA-N 515.454 4.746 10 10 KJCE O=C(CN1C(=O)SC(=Cc2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O)Nc1cccc(Cl)c1 2297561484 FRCGGCDFLHMGIH-UHFFFAOYSA-N 526.910 4.671 10 10 KJCE COc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)c(C)cc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O 2297730764 OCVKAJULRQBIEK-UHFFFAOYSA-N 813.779 4.827 10 10 KJCE Cc1cc(C=C2C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(I)c1 2313560205 MPMPTDREJSVMRC-UHFFFAOYSA-N 525.346 4.707 10 10 KJCE COc1cc(C=C2SC(=S)N(CCC(=O)Nc3nnc(C)s3)C2=O)ccc1OC1CCCCC1 2314486716 BPZJHQPVSPEQMU-UHFFFAOYSA-N 518.686 4.797 10 10 KJCE CN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)c(Br)c2)C(O)=NC1=S 96476806 BZJJVSXXNFWSDJ-ZSOIEALJSA-N 510.207 4.887 10 10 KJCE COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCC(=O)Oc1ccc(C=O)cc1OC 100844385 ZMSRQHMCDHCEIL-OYKKKHCWSA-N 535.599 4.907 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101738367 KQTNVVBSJFTLQZ-LBKCIFGTSA-N 554.690 4.592 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N(CC)CC)c(OCC)c2)SC1=S 101738799 GQDDFKFITBDPKO-LBKCIFGTSA-N 556.706 4.838 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 207313349 STBLUYBFZNXTJU-CTFSMBCHSA-N 558.747 4.519 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c1C 213166412 ZPKKAKOMDCXEKT-HKWRFOASSA-N 523.636 4.950 10 10 KJCE O=C1/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)SC(=S)N1CCOCCO 1858589070 GXMGCGXCOYXDPV-PXLXIMEGSA-N 503.045 4.584 10 10 KJCE Nc1ccc(OC(=O)NS(=O)(=O)c2ccc(CNC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1 1858956031 FGUKTNRPGROSKO-UHFFFAOYSA-N 529.618 4.585 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2CCC)[C@H]1c1ccc(O)c(O)c1 1865034062 OEALCOQZQVGVTF-GOSISDBHSA-N 510.557 4.847 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2C)[C@@H]1c1ccc(O)c(O)c1 1865034195 RGLUTYQNYZOMQX-QHCPKHFHSA-N 520.630 4.630 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865035650 YPGKRYWHDGLDKN-HJPURHCSSA-N 523.033 4.654 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccn5)CC4)nc(-c4ccccc4C)n3)CC2)cc1 1867961013 FAMJATWEYBQQCK-UHFFFAOYSA-N 521.669 4.509 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5ccccc5OC)CC4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869269279 CWRFFGHHUZSECB-UHFFFAOYSA-N 582.724 4.991 10 10 KJCE CCCOc1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1873425471 AGENRUVUZYIXOY-UHFFFAOYSA-N 542.680 4.797 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(Oc5ccccc5OC)cc4)cc3)CC2)cc1 1892204050 KTXKZCZWWSOWHE-UHFFFAOYSA-N 587.698 4.937 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCSc1ccccc1 2296055646 UNUZNODDHDWFGO-UHFFFAOYSA-N 515.620 4.929 10 10 KJCE CCOc1cc(/C=C2\C(=O)N(c3cccc(C(=O)O)c3)N=C2C)c(Br)cc1OCC(=O)OC(C)C 101573866 LVFJLNTZMLLADY-GRSHGNNSSA-N 545.386 4.683 10 10 KJCE CSC1=NSC2=NC(=O)/C(=C/c3ccc(OCCOc4ccccc4)c(Br)c3)C(=N)N12 104372370 CYIQEMNWFNGYCX-XTZGGVIGSA-N 517.430 4.847 10 10 KJCE Cc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O 213211495 QHCSJCBYWCDJTF-HKWRFOASSA-N 523.636 4.950 10 10 KJCE CCOc1cc(OCC)cc(C(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)c1 1860602975 MSYWSHVBWGDGKT-UHFFFAOYSA-N 526.589 4.750 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1OC)=C(N)O2 1864020401 YBSHZJVZXBUPPN-XMMPIXPASA-N 547.011 4.519 10 10 KJCE CCCc1nn(CCC)c2c1[C@H](c1cccc(C)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865563509 MMGFIPRDCSXCAK-SANMLTNESA-N 529.685 4.606 10 10 KJCE CCc1sc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1866112232 SUCIHSYLFPSNLW-IBGZPJMESA-N 545.455 4.918 10 10 KJCE Cc1cccc(-n2nc(C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)cc2C)c1 1866837203 BILRDKPWTCSWCN-LJAQVGFWSA-N 584.632 4.950 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@](C)(CC)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867302165 GHVYBXXFIYESCT-FREGXXQWSA-N 538.689 4.530 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(F)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867840378 NGMIRBXBDZSPTC-IOWSJCHKSA-N 574.697 4.502 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2F)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867855086 GMZCPMBWZDLFLU-IOWSJCHKSA-N 574.697 4.502 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@H](O)C[C@H]4c4ccc(OC)c(OC)c4)nc(C(C)C)n3)CC2)cc1 1869106086 RFTDTSBJGXEKBI-AHWVRZQESA-N 547.700 4.655 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@@H](O)C[C@@H]4c4ccc(OC)c(OC)c4)nc(C(C)C)n3)CC2)cc1 1869106087 RFTDTSBJGXEKBI-AOYPEHQESA-N 547.700 4.655 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3cccc(I)c3)C2=O)cc1 2295924213 BRCCAWYAXJCOIC-UHFFFAOYSA-N 508.406 4.830 10 10 KJCE CCCCCN1C(=O)C(=Cc2c(N3CCN(c4ccc(OC)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S 2296705096 PNWYJQFRUUGNDM-UHFFFAOYSA-N 563.749 4.730 10 10 KJCE CCCn1c(=C2C(=O)N(c3ccccc3)N=C2C)sc(=CC=C2Sc3ccc(Cl)cc3N2CC)c1=O 2297453052 NRIQXXJGMHYCDH-UHFFFAOYSA-N 537.110 4.801 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1O[C@H](C)C(=O)O 2314932763 PLTYMYMGWCDSHU-GOSISDBHSA-N 578.668 4.981 10 10 KJCE Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)c3ccc(C)cc3)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2)cc1 3095765 WBGJPVMFMXZLGF-UHFFFAOYSA-N 571.698 4.784 10 10 KJCE O=C1/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC(=S)N1CCc1ccccc1 100880583 CBUFAHMXHKSJQA-LKUDQCMESA-N 571.703 4.604 10 10 KJCE Cc1c(N2C(=O)/C(=C\c3c(NCCc4ccccc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 100886030 IIQFJCHDIAPUBU-LYBHJNIJSA-N 594.722 4.553 10 10 KJCE COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)N3N=Cc4ccccc4[C@@H]3C23C(=O)c2ccccc2C3=O)c(OC)c1 104019077 PJWHGLHNJDQFJG-KWXIBIRDSA-N 538.600 4.968 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CNc3ccc(I)cc3C)C2=O)cc(OC)c1OC 105434079 PPGGFUJTYQRUBT-VCHYOVAHSA-N 556.447 4.896 10 10 KJCE COCCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)SC1=S 110557318 LYQINGKVADTDBJ-XIEYBQDHSA-N 582.773 4.808 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(c5ccc(F)cc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150432355 SRCQOJWNJHJNQP-VFCFBJKWSA-N 645.782 4.930 10 10 KJCE O=C1[C@@H]2[C@@H](c3cccc(Br)c3)OC3(C(=O)c4ccccc4C3=O)[C@H]2C(=O)N1c1ccc(Cl)cc1 226942478 NCNTTWVNAICPFR-PWRODBHTSA-N 536.765 4.798 10 10 KJCE CCN(CC)c1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)c(OC)c1 1084263407 UUMCAYVTLYZZKM-PDGQHHTCSA-N 500.393 4.587 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)Cc4ccc(Br)cc4)CC3)cccc21 1860601164 SHYZGMZYRADYCP-UHFFFAOYSA-N 531.406 4.644 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864008562 MYOWEHKIDJXGQE-HSZRJFAPSA-N 537.403 4.910 10 10 KJCE CC(C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 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CCOC(=O)c1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OCC)[C@@H]2c2ccc(O)c(O)c2)cc1 526279544 NFZVMLSKRYOLOJ-DEOSSOPVSA-N 505.523 4.739 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)C3CCN(C(=O)CCn4ccc5ccccc54)CC3)cccc21 1860605421 JJDSFCLWFNVXRK-UHFFFAOYSA-N 505.574 4.684 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccc(Cl)cc2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008124 CSNQZNVGUWOEEQ-RUZDIDTESA-N 531.012 4.624 10 10 KJCE CC(C)C[C@H](C(=O)O)N1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(F)cc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867470716 WQJZAELQSPOJNY-CKOYEXALSA-N 699.824 4.672 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(OCC(C)C)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867736140 KYRMSHKLIJHHID-URLMMPGGSA-N 554.801 4.982 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(F)c2)N2CCCCC2)cc1 1867840559 OONIKYMCPSENBE-VMPREFPWSA-N 516.661 4.576 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)Cc3ccc4nc(O)c(C(C)C)cc4c3)CC2)cc1 1868914849 NNUOTSDLUSGTCF-HKBQPEDESA-N 566.702 4.691 10 10 KJCE 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10 10 KJCE CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)cc1 2297508775 JBXYILBJIBELGM-UHFFFAOYSA-N 577.703 4.589 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3NCc3ccc(OC)cc3)SC2=S)cc1 143285073 CRZJJXNCYSQCAD-MYYYXRDXSA-N 560.701 4.639 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccc(Br)cc54)S3)s2)cc1 157373364 BHNGQVVEOKZDDG-ZCXUNETKSA-N 645.542 4.613 10 10 KJCE CCc1sc(NC(=O)C(=O)NCCc2ccccc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1860764013 WIUMVHYELHJZNG-UHFFFAOYSA-N 515.429 4.824 10 10 KJCE C[C@@H](NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1)c1ccccc1 1864015420 QRTSZDBYSNHNOD-VFNWGFHPSA-N 536.510 4.874 10 10 KJCE CCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864018275 HLLCHLFPZZXLEI-XMMPIXPASA-N 520.605 4.578 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864019160 HCRWLXIRUZRUCH-JOCHJYFZSA-N 509.006 4.643 10 10 KJCE 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KJCE COc1ccc(N2CCN(c3cc(N4CCc5nc[nH]c5[C@@H]4C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 1869268372 QMGVVHDQZBJAAL-IBGZPJMESA-N 516.049 4.979 10 10 KJCE CN(C)CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870925065 RDTHWRLIQKOAEM-UHFFFAOYSA-N 517.674 4.593 10 10 KJCE CCN1C(=O)/C(=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)c2cc(Br)ccc21 2509046 MZZMOVAIFOUHRP-FMQUCBEESA-N 533.469 4.647 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(Cl)cc1)C(=O)c1ccccc1Cl 35962099 PTRQNIDVRMHFDD-DEOSSOPVSA-N 513.425 4.798 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(NC[C@@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 101012885 QQABLHYVENWSJQ-VUEBRRCKSA-N 602.738 4.610 10 10 KJCE CCOc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)o2)c([N+](=O)[O-])c1 102444314 MQWYNHJJNBDACN-WOJGMQOQSA-N 526.299 4.682 10 10 KJCE N=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])C(=O)N=C2SC(C3CCCCC3)=NN12 110477903 HTGZNLBERWGQGQ-GSLRTKOCSA-N 539.595 4.562 10 10 KJCE CCOC(=O)c1ccc(Cn2cc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)c3ccccc32)cc1 1860826573 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10 10 KJCE CC[C@@](C)(NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867760500 LWTDPKJMOVGRQG-QCENPCRXSA-N 515.702 4.785 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867780786 ULGCJICRZJYRTR-FHPVIJFVSA-N 670.811 4.871 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867844318 AHIWBIZMHNEGKZ-OFSOJUDTSA-N 602.692 4.562 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C)[C@@H](c5ccccc5)C4)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869313369 DJOVXAZLOVSFFL-SSEXGKCCSA-N 550.707 4.981 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873162183 JLZMOOSKSSMSDF-AREMUKBSSA-N 522.649 4.677 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3nc4ccccc4[nH]3)C(=O)N(CCOc3ccccc3)C2=O)cc1 1873169101 ZEONUIRPKIGZCL-UHFFFAOYSA-N 531.616 4.919 10 10 KJCE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418605 QDNKSWSTHGGHJO-UHFFFAOYSA-N 534.616 4.987 10 10 KJCE CCCCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)C(=O)NC2=S)cc1 2294229366 NJWOLONOGCZQOL-UHFFFAOYSA-N 501.608 4.966 10 10 KJCE COc1cc(C=C2SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 2297560934 ABDZMAPUDOSWME-UHFFFAOYSA-N 507.637 4.977 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3Cl)C2=O)ccc1O[C@H](CC)C(=O)O 2314935438 PAKMRJAYYKUIEQ-MRXNPFEDSA-N 521.016 4.527 10 10 KJCE Cc1ccccc1NC(=O)CN1C(=O)/C(=C2/SC(=S)N(CCc3ccccc3)C2=O)c2ccccc21 2533308 JXKBKJNJLHHWMT-OCOZRVBESA-N 513.644 4.794 10 10 KJCE CCCc1nn2c(/C=C3\C(=N)N4N=C(C(F)(F)F)SC4=NC3=O)c(-c3ccc(C)cc3)nc2s1 102470250 PMAXLISADIYOLB-PKALEJNPSA-N 503.535 4.900 10 10 KJCE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 110557101 STGPUUWCTMWGLN-HAVVHWLPSA-N 536.704 4.711 10 10 KJCE COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1C 1084231328 QCUQLNHBFBKBHA-BKUYFWCQSA-N 536.382 4.618 10 10 KJCE COCCN(Cc1c(O)ccc2cc(-c3ccc(OC)cc3)c(=O)oc12)C[C@H]1CCCN2CCCC[C@@H]12 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543.023 4.980 10 10 KJCE COC(=O)c1c(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)sc(C)c1-c1ccc(Br)cc1 1866115996 AFQSPJVILSCEOI-LJQANCHMSA-N 588.480 4.772 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2c[nH]c3c(I)cc(Br)cc3c2=O)N2CCCCC2)cc1 1866447429 BJBHQOCUTQQYJI-JOCHJYFZSA-N 623.333 4.918 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867590671 OFECFEBDXIJISJ-DZMJNENTSA-N 623.798 4.832 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccc(S(=O)(=O)NC6CCCCC6)cc5)CC4)nc(C(C)C)n3)CC2)cc1 1869092070 CXUVLZKUSOEGAB-UHFFFAOYSA-N 633.863 4.873 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(Cl)cc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970366 OMHPRKVAERVWES-UHFFFAOYSA-N 517.033 4.746 10 10 KJCE CCCC1=NN2C(=N)C(=Cc3ccc(OCCOCCOc4ccccc4C)c(OC)c3)C(=O)N=C2S1 2296660328 YHBQNIGFBZACRD-UHFFFAOYSA-N 522.627 4.897 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccccc2)c(Br)c1 2313559050 PRXZNODRLFXDRL-UHFFFAOYSA-N 511.372 4.999 10 10 KJCE O=C(O)COc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 2314931988 SETKVAYDDIRFMZ-UHFFFAOYSA-N 555.033 4.929 10 10 KJCE COc1ccc(Nc2cc(N3CCN(c4ncccn4)CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 3741957 CFTNJIDUVVMXTR-UHFFFAOYSA-N 504.550 4.908 10 10 KJCE CC[C@@H](C)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@@H]5CO[C@@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)c1=O 3913989 HUADITLKOCMHSB-DKYCYSLVSA-N 672.737 4.549 10 10 KJCE CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 33813467 FFNYNPXOMFFZBP-PGMHBOJBSA-N 530.716 4.665 10 10 KJCE Cc1ccc(CN2C(=O)/C(=C/c3cc4cccc(C)c4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 38732804 PKHFFVLSQKAVED-HAHDFKILSA-N 516.692 4.955 10 10 KJCE Cc1ccc(OCCOc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2)cc1 101380931 FTDNAMBFVYBNDN-KQWNVCNZSA-N 521.367 4.882 10 10 KJCE COc1ccc(N2CCN3c4ccc(C(F)(F)F)cc4C[C@@H](C(=O)NCCc4ccccc4OC)[C@@H]3C2)cc1 104916938 GJACEAALZQFBOO-VPUSJEBWSA-N 539.598 4.949 10 10 KJCE CCN(CC)c1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2c2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 526140249 QYLVMKVGNBDFJY-MHZLTWQESA-N 533.650 4.723 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3ccc(OC)c(OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526625391 RBVSJLJFUPWDEG-HHHXNRCGSA-N 502.567 4.543 10 10 KJCE C[C@@H]1CN(C2=NC(=O)/C(=C\c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCCCC4)c3)S2)C[C@@H](C)O1 1554268074 PEZQHRIESZJRDC-MBEOZBFASA-N 591.759 4.793 10 10 KJCE CC[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1862236868 DXHSZRCDGVZNOO-FQEVSTJZSA-N 517.470 4.590 10 10 KJCE CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013239 UAOHTMIIBNTVJX-QHCPKHFHSA-N 523.033 4.702 10 10 KJCE Cc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(Cc1ccccc1)C(C)C)=C(N)O2 1865026533 OZLAZHAYQRBASS-MHZLTWQESA-N 542.611 4.922 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865032604 GXRIJFZTTBAVHJ-HHHXNRCGSA-N 536.632 4.887 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CCCc3cccc(Cl)c3)c3ccccc3)CC2)cc1 1868953607 GDIAUMQFFXCKAF-NDEPHWFRSA-N 506.046 4.878 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873170513 CJVLLEMRKZZJMQ-UHFFFAOYSA-N 503.046 4.711 10 10 KJCE CC(=O)c1ccc(N2CCN(C(=O)CSC3=NC(=Cc4ccc(N(C)C)cc4)C(=O)N3c3ccccc3)CC2)cc1 2297558783 VLJATNKMDAGVAK-UHFFFAOYSA-N 567.715 4.781 10 10 KJCE CCc1cc2c3c(c1)C(=C1SC(=S)NC1=O)C(=O)N3C(C)(C)C=C2CSc1nnc(C)s1 2297632334 IKFVTPYYYXWEBK-UHFFFAOYSA-N 500.696 4.582 10 10 KJCE CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 2313555980 HRHFNVUOYJVYMO-UHFFFAOYSA-N 505.483 4.627 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 2313560770 GIZRIQSNVOPJED-UHFFFAOYSA-N 522.311 4.603 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(NCCc3ccccc3)nc12 2314414277 UZYZRAKDXKACJY-UHFFFAOYSA-N 556.669 4.788 10 10 KJCE COc1cc(C=C2SC(=S)N([C@@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 2314833561 TXLITSHGQKHRMG-LJQANCHMSA-N 589.091 4.511 10 10 KJCE COc1ccc(N2CCN(c3ncnc4sc(C(=O)Nc5cc(OC)ccc5OC)c(C)c34)CC2)cc1 10013169 BPZPPQRBNHCHCS-UHFFFAOYSA-N 519.627 4.604 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 101062832 GMCIGJDSIQEANZ-ZFJBLLOBSA-N 569.730 4.615 10 10 KJCE N=C1/C(=C\c2ccc(OC(=O)c3cccs3)c(Br)c2)C(=O)N=C2SC(c3cccnc3)=NN12 102770856 PMUJEBNHJIACJR-JVWYAVPJSA-N 538.408 4.792 10 10 KJCE Cc1ccccc1OCCOCCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 103476479 OMTSKYNMLPKDNE-NKFKGCMQSA-N 537.410 4.693 10 10 KJCE CCOc1ccc(/C=C\C(=O)Nc2ccc3nc(N4CCN(c5ncccn5)CC4)cc(C)c3c2)cc1OC 104345304 BMNIDZCRWUVUAH-XFFZJAGNSA-N 524.625 4.719 10 10 KJCE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)SC1=S 110558180 QISUIRADOWDJMW-VHEBRAQUSA-N 580.757 4.724 10 10 KJCE COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3sc(=Cc4cc(C)n(-c5cccc(C(=O)O)c5)c4C)c(=O)n32)cc1 252517859 SXABGJNFMSIQQJ-HKBQPEDESA-N 618.715 4.988 10 10 KJCE Cc1ccc(C)c(OCC(=O)Nc2cc(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)ccn2)c1 1860511550 GRIRLUWNEPRIST-UHFFFAOYSA-N 505.530 4.744 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3cccc(Cl)c3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011276 FMKLZJMICVZPEI-RUZDIDTESA-N 531.012 4.624 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]3c2ccc(O)c(O)c2)c1 1864012418 ZKUTVFFNZIQORT-QCIUDXLNSA-N 516.642 4.657 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(OC)cc2)[C@@H]1c1ccc(O)c(O)c1 1865029762 UVMNUIRCEGOVGQ-DEOSSOPVSA-N 520.630 4.588 10 10 KJCE CCC[C@@H](NC(=O)C[C@@H](CC)c1cc(Br)ccc1OC)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868961386 AHOXUOOCYYTMIY-CJFMBICVSA-N 560.533 4.984 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5cccc(Cl)c5)CC4)nc(C(C)C)n3)CC2)cc1 1869088052 LDLGJGBSVPXSLE-UHFFFAOYSA-N 535.136 4.953 10 10 KJCE CCCCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871707145 IFYYYXFAKAOHLH-UHFFFAOYSA-N 518.710 4.739 10 10 KJCE COc1ccc(N2CCN(S(=O)(=O)c3ccc(OCCCOc4ccc(Cl)cc4)cc3)CC2)cc1 1872717951 CTURHIAPYOPOJK-UHFFFAOYSA-N 517.047 4.707 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(I)c1 2313557845 NEBAILIVJDURFY-UHFFFAOYSA-N 560.294 4.815 10 10 KJCE CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(C)CC2)SC1=S 33812602 LLTAKIPHNOCBAY-LORYXUCWSA-N 529.776 4.608 10 10 KJCE CCN(CC)c1ccc(/C=C2/N=C(SCC(=O)Nc3c[n+](C(C)C)no3)N(c3ccccc3)C2=O)cc1 101940057 DLLFRARWLJVGAZ-XQNSMLJCSA-O 519.651 4.505 10 10 KJCE CCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(c3ccc(F)cc3)CC2)SC1=S 110527122 CLCYZEIWXMPITC-ULJHMMPZSA-N 553.729 4.905 10 10 KJCE COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1OC 150421838 RREHQKBWEVDBIN-UXHLAJHPSA-N 685.828 4.515 10 10 KJCE O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 209420105 JXVCVMNKMDFPLU-CXUHLZMHSA-N 520.633 4.949 10 10 KJCE Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c1 213147064 WWWMHRQBZPCXIM-XKZIYDEJSA-N 529.599 4.925 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864012450 AAWAJZPCFVEEQZ-RUZDIDTESA-N 516.642 4.747 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864016943 APYDGJJTSMHAPN-OAQYLSRUSA-N 523.014 4.572 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865026467 OCLWFBRNHWNKQU-QKFKETGDSA-N 526.996 4.539 10 10 KJCE CCC[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866911962 FKGNXFZXZGRUSS-DEOSSOPVSA-N 507.546 4.583 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5ccc(F)cc5)C4=O)nc(-c4ccc(C)cc4)n3)CC2)cc1 1869168196 IHIIXLLJPLWNHB-PMERELPUSA-N 552.654 4.604 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCCCc4ccccc4)cn3Cc3ccco3)CC2)cc1 1870689302 YKQWRYRJOGQUKP-UHFFFAOYSA-N 513.638 4.832 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 2296701090 NOXDAHFMXRSYKY-UHFFFAOYSA-N 549.586 4.677 10 10 KJCE COCCCN1C(=O)C(=Cc2c(Oc3ccc(Cl)c(C)c3)nc3c(C)cccn3c2=O)SC1=S 2314506517 FCEREUBWRBGBOI-UHFFFAOYSA-N 516.044 4.995 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 2314829300 WVOGFIMZIGGJJA-QMHWCDLVSA-N 588.773 4.609 10 10 KJCE CCCOc1ccc([C@@H](CC(=O)O)N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1OC 2323678057 HUBSNHMJWUPMND-QGZVFWFLSA-N 517.625 4.918 10 10 KJCE COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)C2=O)cc(OC)c1O 15046475 MIJMQJXOVRULOW-VBYYMIJXSA-N 512.531 4.657 10 10 KJCE CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(N4CCN(Cc5ccccc5)CC4)=NC3=O)o2)cc1 34982753 FGNWXUOEQYBXIH-XIEYBQDHSA-N 501.608 4.911 10 10 KJCE Cc1ccc2c(c1)/C(=C1\SC(=S)N(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)C1=O)C(=O)N2 100844226 UZDKBIZNIUGOIR-WUKNDPDISA-N 528.826 4.589 10 10 KJCE O=C1/C(=C/c2cccs2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 101909540 VTTJVIZDGBYXME-OSEFQUDUSA-N 593.818 4.529 10 10 KJCE CN(C)c1ccc(CN(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 105705651 OIAYZJWACJTIIA-LGOLVEFXSA-N 558.679 4.974 10 10 KJCE Cc1ccc(-c2ccc(/C=C3\SC(=S)N(c4cc(C(=O)O)cc(C(=O)O)c4)C3=O)o2)c([N+](=O)[O-])c1 210232479 XECSXAAOCXAIDZ-GRSHGNNSSA-N 510.505 4.965 10 10 KJCE O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(I)c1 1084062320 NNGUPDFZCBLWKL-UNOMPAQXSA-N 542.304 4.676 10 10 KJCE CCc1nc(N2CCC(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(N2CCN(c3ccc(OC)cc3)CC2)n1 1869133339 AITTVPGYPLSWIV-UHFFFAOYSA-N 516.646 4.742 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CCc5c[nH]c6ccccc56)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869180083 CADDBJLORPZKFC-UHFFFAOYSA-N 553.755 4.955 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cn(C)c4ccccc34)C(=O)N(C[C@@H]3CCCO3)C2=O)cc1 1873162184 JLZMOOSKSSMSDF-SANMLTNESA-N 522.649 4.677 10 10 KJCE CCCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873165822 WPARBYCMJUHJOR-UHFFFAOYSA-N 543.664 4.956 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(N4CCN(c5ccc(F)cc5)CC4)nc4ccccn4c3=O)SC2=S)cc1 2314408635 VHJUCAYUDFTCFT-UHFFFAOYSA-N 601.729 4.613 10 10 KJCE COc1ccc(C=C2SC(=S)N(CCC(=O)NCc3cc(-c4ccc(Cl)cc4)no3)C2=O)cc1 2314913619 FQDUBPQQJMJUCG-UHFFFAOYSA-N 514.028 4.911 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CC=Cc5ccccc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 2330934175 YZSHPAWXWPNLRE-UHFFFAOYSA-N 526.729 4.945 10 10 KJCE Cc1oc2c(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)c(O)ccc2c(=O)c1-c1nc2ccccc2s1 15227819 BKQGQENHENEIKQ-MSOLQXFVSA-N 511.603 4.865 10 10 KJCE biogenic COc1ccc(CCN2C(=O)/C(=C\c3c(NC4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1OC 100885070 VAWQBMFCPRHNDQ-HAVVHWLPSA-N 550.706 4.900 10 10 KJCE CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2F)C(=O)Nc2ccc(I)cc2)cc1 103382515 YDHPISXQZLQKRA-PXLXIMEGSA-N 529.353 4.906 10 10 KJCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)c(OC)c1 252670839 LUKBGHJLQQTIOG-AREMUKBSSA-N 554.112 4.695 10 10 KJCE CCCCOc1cccc(C2=C(O)C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1 526312115 DTZMABKHYKILGG-AREMUKBSSA-N 521.639 4.636 10 10 KJCE CCCOc1ccc(/C=C2/C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OCC 1084059948 KHVXCPFJTNOERT-ATVHPVEESA-N 501.377 4.920 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 1084234129 GOLFFDRVLVARHG-GRSHGNNSSA-N 570.327 4.750 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(C)cc1)=C(N)O2 1864010562 NRLKNBZHQBYTEV-AREMUKBSSA-N 524.621 4.598 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864012816 JWPQIXPWLKIBBI-RUZDIDTESA-N 545.039 4.960 10 10 KJCE CCCc1nn(CC)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc3c(c1)CCCC3)=C(N)O2 1864014602 ZCQOANPNKJCSNK-NSYGIPOTSA-N 516.642 4.718 10 10 KJCE COc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OC 1867309605 BWXWGAGYYZMNGZ-VMPREFPWSA-N 576.713 4.593 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](CO)NC(=O)c2ccc(N3COc4ccc5ccccc5c4C3)cc2)N2CCCCC2)cc1 1867561815 BWNQVQYHIILNFO-HEVIKAOCSA-N 621.782 4.696 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3cc[nH]c3c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867665691 AUINMDMDMHXTSQ-CZNDPXEESA-N 595.744 4.844 10 10 KJCE CCCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCO[C@@H](c3cccnc3)C2)n1 1868386887 KNNWDHRALWKUGJ-XMMPIXPASA-N 505.578 4.921 10 10 KJCE CC(C)Cn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1870979369 HDZFVDAJOYFBLW-AREMUKBSSA-N 504.631 4.534 10 10 KJCE CCn1cc([N+](=O)[O-])c(C(=O)N2N=C3C(=Cc4ccc(N5CCOCC5)cc4)CCC[C@@H]3[C@H]2c2ccc(N3CCOCC3)cc2)n1 2294848226 LGWHSOQDLXGCQF-RYCFQHDISA-N 625.730 4.921 10 10 KJCE Cc1ccc2nc(N3CCN(c4cccc(Cl)c4)CC3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296730243 LZWZVMGUHPOUIB-UHFFFAOYSA-N 578.119 4.977 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)C(=Cc3cc(Br)ccc3O)SC2=S)cc1 2314831415 KPFHSNDNMWHUJE-UHFFFAOYSA-N 549.468 4.952 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)C(=Cc4cccc(O[C@H](C)C(=O)O)c4)SC3=S)cc2)cc1 2314932830 ZKUZTIJUZXSXII-GOSISDBHSA-N 548.642 4.972 10 10 KJCE COc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCCOc1ccc(C)cc1 20235865 INZCCDZXMJMPFL-JUWLHOMFSA-N 512.360 4.674 10 10 KJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2cc(Br)c(OC)c(OC)c2)SC1=S 101738390 ADYIRLNSLBVAOI-FSEPTYSPSA-N 522.442 4.972 10 10 KJCE CCOC(=O)c1sc(NC(=O)C(=O)Nc2sc(C)c(-c3ccc(C)c(C)c3)c2C(=O)OC)nc1C 1860765930 RWQATASBUFJUBF-UHFFFAOYSA-N 515.613 4.646 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864010880 QCEPRXTYCQZQSP-RUZDIDTESA-N 532.641 4.778 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3)[C@@H]2c2ccc(O)c(O)c2)cc1 1864014682 AEGCZDLBHHHGLA-NRFANRHFSA-N 536.510 4.622 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2ccc3c(c2)C(=O)N([C@@H](Cc2ccccc2)C(=O)O)C3=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867618691 VQZSBTCTMYMTHW-VDYROPKHSA-N 773.887 4.654 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N3CC(=O)N4CCc5c(F)cccc5[C@H]4C3)n2)cc1 1869338470 GBHGZBXDQISMMH-WJOKGBTCSA-N 608.718 4.963 10 10 KJCE COc1ccc(N2CCN(c3cc(N4C[C@H](C)N(c5ccccc5)[C@H](C)C4)nc(-c4cccnc4)n3)CC2)cc1 1869363526 LBVQKPKFRPBYHD-PLQXJYEYSA-N 535.696 4.977 10 10 KJCE COc1ccc(Cn2cc(OCCC(C)C)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870354081 NLZMTBACEROOSB-UHFFFAOYSA-N 505.659 4.661 10 10 KJCE CCNC(=O)COc1cn(Cc2ccc(OC)cc2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870974482 LUPAKNWMYOCAGT-UHFFFAOYSA-N 512.610 4.776 10 10 KJCE CCOCCCN1C(=O)C(Nc2ccc(C(=O)OCCOC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425527 CZXNBXQFDZEORX-UHFFFAOYSA-N 545.636 4.516 10 10 KJCE CCc1cc(C)cc(OCCOc2ccccc2C=C2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1 2293601582 ZWRROJCUBDTOFK-UHFFFAOYSA-N 500.551 4.690 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 2313541367 DKBZRIUHWYHOND-UHFFFAOYSA-N 500.985 4.933 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 2313558533 DAVWOVZBJTWTAR-UHFFFAOYSA-N 516.304 4.588 10 10 KJCE C/C(NCc1cccs1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)NCc1cccs1 9356353 SRNXVNCDXDYUNZ-PXLXIMEGSA-N 507.666 4.892 10 10 KJCE CCOc1c(I)cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1OC 1084554301 HPPQMWUNNRTQJJ-ZSOIEALJSA-N 599.219 4.744 10 10 KJCE Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)N[C@@H](C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866663516 TXMYZRIYGNYCGW-HNNXBMFYSA-N 527.964 4.765 10 10 KJCE CSCC[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866911146 DWWDARWKLSDKBK-DEOSSOPVSA-N 539.613 4.536 10 10 KJCE CC[C@](C)(NC(=O)C[C@@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867030213 QLOKIJWQYFYCQF-FWUCURJTSA-N 536.588 4.599 10 10 KJCE CCOc1ccc(C(=O)N[C@@H](Cc2ccc(OC(C)=O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867539363 CSDQVVNCYSVWRS-JHOUSYSJSA-N 600.760 4.761 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5F)CC4)nc(C(C)(C)C)n3)CC2)cc1 1867968937 HFVNKTKBKSPOST-UHFFFAOYSA-N 504.654 4.575 10 10 KJCE CCCC[C@H](NC(=O)[C@H](C)c1ccc(Br)cc1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868840238 RLQXGPLMFPNGKQ-DVECYGJZSA-N 516.480 4.585 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCCOc1cccc(C)c1 2296147236 NVHZHTVBCPXKFJ-UHFFFAOYSA-N 527.606 4.914 10 10 KJCE COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1N/C=C1/C(=O)NC(=O)N(c2cc(C)c(C)cc2Br)C1=O 101123656 UFIUMUGQPCQUCM-RGEXLXHISA-N 613.490 4.763 10 10 KJCE COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 103250456 AYXXBVBPZIVJQO-XMHGGMMESA-N 526.958 4.569 10 10 KJCE CC[C@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 105646898 MZXBEQFZOVYJOZ-GFHXCNCHSA-N 534.663 4.594 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3nonc3-c3cc(C)ccc3C)C2=O)cc1 207317305 DZMHRDJIJMTVTA-XSFVSMFZSA-N 508.625 4.982 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cccc(OC)c3O)N[C@](CC3CCCCC3)(C(=O)O)[C@@H]2C1=O 247911332 KKCRPWRPQJXQHY-OSYMNAPVSA-N 534.653 4.770 10 10 KJCE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c2)C1 256024890 JKZJUAULNRHRBT-JDFDBPGYSA-N 656.877 4.594 10 10 KJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(Cl)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526470607 AQDWWGCBYWXKJP-JOCHJYFZSA-N 511.914 4.612 10 10 KJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1858594340 VNVNZLCDKKFSOH-XIEYBQDHSA-N 523.724 4.800 10 10 KJCE O=C1c2ccccc2C(=O)c2cc(NC(=O)C3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)ccc21 1860603540 AOVADPOPUHFODV-UHFFFAOYSA-N 506.480 4.972 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](c2ccccc2)N2CCCC2)sc(C)c1-c1ccc(F)cc1 1860758943 OJTVIONYLJNYMX-JOCHJYFZSA-N 523.630 4.931 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4ccc(OC)c(F)c4)n(Cc4ccc(F)cc4)n3)CC2)cc1 1862369988 QASAXHAUNSMOON-UHFFFAOYSA-N 518.564 4.856 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864019580 MTQRSMMNZIMNBO-RUZDIDTESA-N 545.039 4.878 10 10 KJCE Cc1c([N+](=O)[O-])cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1[N+](=O)[O-] 1867836926 YITDGFCNGCCVMG-POURPWNDSA-N 620.682 4.701 10 10 KJCE CCCC[C@@H](NC(=O)c1ccccc1I)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867857078 AELVGKIPAHJGTI-FTJBHMTQSA-N 590.550 4.989 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)[C@H](c3ccc(F)cc3)C(C)C)CC2)cc1 1868853622 SOYVRKDGKZDJLH-WDYNHAJCSA-N 535.635 4.789 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCc4ccccc4)nc(Nc4ccc(C)c(C)c4)[nH]3)CC2)cc1 1871526749 INANCAIFIZRYHU-UHFFFAOYSA-N 509.658 4.644 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(C3CCN(Cc4ccccc4)CC3)C2=O)cc1 1873166385 ODVWVUSHGMVMLB-LJAQVGFWSA-N 538.692 4.607 10 10 KJCE CCCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420700 UHFRPELYFBUNFL-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCOC(C)C)C2=O)cc1 1873421086 GELGOFHMZSDVLT-UHFFFAOYSA-N 529.637 4.817 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873553742 CFSWJXDHPZJZPJ-SZPZYZBQSA-N 504.679 4.685 10 10 KJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 1875206435 XDCJNXSECWBEOC-AREMUKBSSA-N 549.075 4.611 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCCCN(CC)CC)ncnc21 1875215805 YHJISJLZIUURHH-UHFFFAOYSA-N 535.737 4.736 10 10 KJCE C[C@@H](C(=O)NCCCCCC(=O)O)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 15048083 ATVRDLRFSXHWPQ-PSRBBBRCSA-N 512.653 4.617 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCC4)C3=O)c(N3CCc4ccccc4C3)nc12 33513441 URCHHRQKWBCLEH-PXLXIMEGSA-N 502.665 4.709 10 10 KJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 102593976 NZQZHHJIEPDBET-IWIPYMOSSA-N 547.658 4.876 10 10 KJCE Cc1c(/C=C2/SC(=S)N(CCCc3ccccc3)C2=O)c(N2CCN(Cc3ccccc3)CC2)n(C)c(=O)c1C#N 105468759 XLEPMQTYEKYOIY-VFCFBJKWSA-N 583.783 4.722 10 10 KJCE CN1C(=O)/C(=C(\Cc2ccccc2)C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)SC1=S 211935835 PPKDTAPCKYPPKP-QOCHGBHMSA-N 520.705 4.627 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3ccc4c(c3)OCCO4)[C@H]2c2ccc(N(C)C)cc2)cc1OC 526156642 ABQSSRPQJZTPGI-MHZLTWQESA-N 502.567 4.988 10 10 KJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3cc(Cl)cc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)c1 526470779 PSRPIPDTYHCQJG-JOCHJYFZSA-N 511.914 4.612 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 1084515669 MZRQDVNFVIXLFU-SXGWCWSVSA-N 555.381 4.727 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864013735 ZLMLXOJDCRNYGG-VWLOTQADSA-N 546.574 4.584 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)N2CCc4ccccc4C2)[C@@H]3c2ccc(O)c(O)c2)c1 1865027350 HJXDPNKBAPUPOQ-MUUNZHRXSA-N 536.632 4.547 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1865034020 NHLZBGYXRPYJLS-GOSISDBHSA-N 536.938 4.578 10 10 KJCE CC[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866660431 UXQQOERTXSUQKQ-QFIPXVFZSA-N 525.536 4.641 10 10 KJCE CCOC(=O)Oc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867300896 MTLQMCCVOMNFQS-FIRIVFDPSA-N 602.732 4.678 10 10 KJCE C[C@@]1(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)Oc2ccccc2N(CCc2ccccc2)C1=O 1871333505 ZEODUTOVAJFFPU-YTTGMZPUSA-N 516.553 4.828 10 10 KJCE CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 2313681510 GWOCRZRMEYYYHC-UHFFFAOYSA-N 538.586 4.889 10 10 KJCE Cc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c1 2314507362 JIAYUSXUHUMBGM-UHFFFAOYSA-N 523.636 4.950 10 10 KJCE Cc1ccc(CNC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C)c(O)c1Br 2327798599 JUJKSDOTTQWKEA-UHFFFAOYSA-N 516.477 4.751 10 10 KJCE CC[C@H](C)N1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2N2CCN(c3ccccc3F)CC2)SC1=S 110523159 VJLDFVTUFCBWPL-XYLCRUHJSA-N 539.702 4.514 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C/c4ccc(OCC(=O)O)cc4)SC3=S)cc2)cc1 210825740 CZDRLYIAMOVEMZ-UCQKPKSFSA-N 534.615 4.584 10 10 KJCE Oc1cc(Br)ccc1CNc1cc(I)cc(I)c1 691429531 PUNXXKMWLCKRFI-UHFFFAOYSA-N 529.941 4.976 10 10 KJCE COc1ccc(N2CCOCC2)cc1C(=O)N1CCC2(CCCCOC[C@H]3CCCN3C(=O)c3cccc(c3)OC2)CC1 1615083864 PGIZQIYUKJMOIH-MUUNZHRXSA-N 591.749 4.638 10 10 KJCE Cc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864006929 ARCJPNPISLPGTO-QHCPKHFHSA-N 537.403 4.910 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccc(OC)cc2)[C@H]1c1ccc(O)c(O)c1 1864007323 KMPWJPQEVWSMMZ-UQBPGWFLSA-N 520.630 4.770 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864017935 YUSRGNXQFPISRB-XMMPIXPASA-N 547.011 4.519 10 10 KJCE Nc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)C(=O)N(Cc3ccc5c(c3)OCO5)C4=O)cc2)cc1 1865880745 VPYZSZFETFBTAU-UHFFFAOYSA-N 507.502 4.838 10 10 KJCE C[C@@H](C(=O)N[C@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885723 MHNWEVIOMQAMTP-PRWKNARSSA-N 569.276 4.990 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(OCC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867538212 XBDGHAMPDHDSTA-IZLXSDGUSA-N 508.707 4.783 10 10 KJCE CCCCNC(=O)COc1cn(CCCOCC)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870951919 JPCSKZNPBMJIOL-UHFFFAOYSA-N 506.647 4.926 10 10 KJCE O=C(COc1cn(CCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O)Nc1ccccc1Cl 1871163013 OTJTWLSHMGDHJN-UHFFFAOYSA-N 519.001 4.867 10 10 KJCE COc1cc(Cl)c(C)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873425789 LTQQYAKLVWQQJP-UHFFFAOYSA-N 549.071 4.589 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@H](c3ccc(O)cc3)N(C)C)ncnc21 1875214748 GQUDAMGQPXMYDS-GDLZYMKVSA-N 571.726 4.623 10 10 KJCE COc1ccc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 2296256016 LMHFYEPBRJEKQF-UHFFFAOYSA-N 519.941 4.552 10 10 KJCE CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1N=Nc1c(N)ccc2cc(S(=O)(=O)O)cc(O)c12 2333136606 DHHHEXIGZKDYOL-UHFFFAOYSA-N 532.644 4.884 10 10 KJCE CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(OCC(=O)NCc2ccco2)cc1 58903807 PYSNVIODYRDZKJ-PCLIKHOPSA-N 500.551 4.551 10 10 KJCE COc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(COc5ccccc5)SC4=NC3=O)cc2)cc1 103566464 BASSAPRHARLGHJ-IZHZPMQVSA-N 528.590 4.851 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)/C(=C\c3ccc(OC)c(OC)c3)S4)CC2)cc1 104530730 DTRHZOUXSBAVKT-MTDXEUNCSA-N 545.661 4.784 10 10 KJCE O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 207822210 VAFJKELYGPZXSA-KGENOOAVSA-N 548.715 4.792 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 1084032840 DAYWYNSDWHRGAT-BOPFTXTBSA-N 603.369 4.749 10 10 KJCE COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1OCc1cccc(C(=O)O)c1 1084323746 YNXWWKAMOLYTCC-ZDLGFXPLSA-N 541.343 4.946 10 10 KJCE Cc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867893715 UAXWCSGJFBOKFW-IOWSJCHKSA-N 542.724 4.760 10 10 KJCE COc1ccccc1CN1C(=O)C(NCCCOC(C)C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165309 HJJWFWVBAFHEOX-UHFFFAOYSA-N 501.627 4.788 10 10 KJCE CCCCOCCCN1C(=O)C(Nc2ccccc2S(C)(=O)=O)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422533 BYKQORHWJANHJY-UHFFFAOYSA-N 549.693 4.896 10 10 KJCE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(CC)CC)C2=O)cc1 1873425520 CNSHEYCBUPPLPD-UHFFFAOYSA-N 542.680 4.734 10 10 KJCE Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN3CCOCC3)C2=O)cc1Br 1873425571 GFYCLYWCGULWNF-UHFFFAOYSA-N 563.496 4.689 10 10 KJCE Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NC1=S 2294229320 KFKDINAODNRAPB-UHFFFAOYSA-N 512.341 4.757 10 10 KJCE CCCCn1c(NCc2ccc3c(c2)OCO3)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O 40066986 GGIMAQXEGBBWHH-UUYOSTAYSA-N 524.668 4.781 10 10 KJCE COCCN(CC(=O)N1N=C(c2cccn2C)C[C@@H]1c1ccc2c(c1)OCO2)C(=O)Nc1ccc(C(F)(F)F)cc1 103400337 ZQDSABWDCOSKFA-HSZRJFAPSA-N 571.556 4.631 10 10 KJCE CCOc1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3OC)[C@@H]2c2ccc(O)c(O)c2)cc1OCC 526446039 LJXVMOUMTILYHS-SANMLTNESA-N 507.539 4.970 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 725410360 STQLCKZVYNMEBB-MHZLTWQESA-N 667.525 4.539 10 10 KJCE CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N(C[C@H](c3ccccc3)N3CCCC3)C2=O)cc1 1858594396 XHLBDUQEOWDOOC-HWEDYNCSSA-N 523.724 4.972 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864010601 OSRMVVCTGYFOSW-MHZLTWQESA-N 536.563 4.895 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)c1ccc(CC)cc1)=C(N)O2 1864013928 JDZRNVNCOKWSLF-QYBDOPJKSA-N 539.636 4.765 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864017163 HBTNRJOLYIZPGV-QHCPKHFHSA-N 534.975 4.649 10 10 KJCE CC[C@@H](NC(=O)C[C@H](c1cccc(Br)c1)c1nccs1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868892795 BCGKYNCQPFMZHG-DNQXCXABSA-N 571.541 4.680 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCc5cc(OC)c(OC)cc5[C@@H]4C(C)C)nc(C)n3)CC2)cc1 1869291647 LWFHWDISLIWXEO-PMERELPUSA-N 517.674 4.897 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@H]4C[C@@H]4c4ccccc4Cl)n(-c4ccccc4)n3)CC2)cc1 1869970316 IKXQBAPDLBRYFG-RPBOFIJWSA-N 529.044 4.998 10 10 KJCE COCCOC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3ccncc3)C2=O)cc1 1873418575 OVFBAWLSCAIJAJ-UHFFFAOYSA-N 550.615 4.685 10 10 KJCE 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COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)[C@H](C)N3C(=O)c4ccccc4C3=O)c3ccccc32)S1 105592168 WAVHVNHQLMKFDW-AWEZNQCLSA-N 608.719 4.573 10 10 KJCE O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1CCCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@@H]1CCS(=O)(=O)C1 207308593 MFUKVSIGULMUFB-PCCDRTMGSA-N 605.779 4.606 10 10 KJCE COc1cc(Cl)cc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@@H]2c2ccc(O)c(O)c2)c1OC 526395748 CDBOITVUFKUZTG-HSZRJFAPSA-N 510.930 4.784 10 10 KJCE Cc1ccc(Cn2nc(C)c3c2OC(N)=C(C(=O)N[C@H](C)c2ccccc2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008158 DPDXJCNYMHOKIS-DWXRJYCRSA-N 510.594 4.531 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864010023 IEROWQYLRZUXRV-SANMLTNESA-N 544.652 4.946 10 10 KJCE Cc1ccc(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864016564 SLXKZLZZVYKGFL-RUZDIDTESA-N 524.621 4.785 10 10 KJCE CCCCCCOc1ccc2[nH]c(C(=O)N[C@@H](c3ccc(N(C)C)cc3)c3nccn3C)cc(=O)c2c1 1866525894 BUXIQYHJOKDNEA-MHZLTWQESA-N 501.631 4.806 10 10 KJCE 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BVVWOTLZVKQYHJ-UHFFFAOYSA-N 513.129 4.574 10 10 KJCE CCCN1C(=O)C(=Cc2cc(I)cc(I)c2OC)SC1=S 2297461736 OOCKFRJPUOGAHP-UHFFFAOYSA-N 545.205 4.516 10 10 KJCE O=C(N[C@@H](Oc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 2297498039 BRVBELKIZKMXMZ-KKSFZXQISA-N 605.974 4.580 10 10 KJCE O=C(O)CCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S 101062216 WPLKAEVHLYVEGU-LFIBNONCSA-N 536.418 4.860 10 10 KJCE CN1C(=O)C(=Cc2ccc(N3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c([N+](=O)[O-])c2)C(=O)N(C)C1=O 103772676 NGQSBCQBDMIKHI-MHZLTWQESA-N 574.037 4.594 10 10 KJCE Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccc(C)cc4Br)C(=O)[C@@H]23)cc1 105628210 IBVZHPBZDIQZLS-XPWALMASSA-N 530.374 4.761 10 10 KJCE CCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O 110524482 KPLJFQARBXWAOQ-HLILLCKBSA-N 535.739 4.543 10 10 KJCE C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)SC1=S 110558175 QISUIRADOWDJMW-LZSGNZRWSA-N 580.757 4.724 10 10 KJCE CCc1nnc(NC(=O)CN2C(=O)/C(=C\c3ccc(OC4CCCCC4)c(OC)c3)SC2=S)s1 211916199 LOCAMLOGMFIDMD-LDADJPATSA-N 518.686 4.661 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)/C(=C\c3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1C 1084609297 JPEFAFGJXHZKEN-UDWIEESQSA-N 507.388 4.594 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 1084647633 GRPYVMNCKWKHAV-QFEZKATASA-N 556.619 4.566 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCc2ccc(O)cc2)sc(C)c1-c1ccc(Br)cc1 1860758482 JYOXWNYCMSSXIB-UHFFFAOYSA-N 517.401 4.623 10 10 KJCE CCCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)CC)=C(N)O2 1864012609 DZGBTYJVRRHWGH-QRQCRPRQSA-N 511.022 4.558 10 10 KJCE CCCc1nn(Cc2ccc(F)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864012618 FHUSWSOCPOGAIM-HSZRJFAPSA-N 534.613 4.507 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1864016547 RXEVCAYPKRNWMO-XMMPIXPASA-N 528.584 4.760 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864018783 CLVWNFCELPFJCS-XMMPIXPASA-N 531.012 4.569 10 10 KJCE Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1CCC(Cc3ccccc3)CC1)[C@H]2c1ccc(O)c(O)c1 1865031563 JUERAVHNEXXTPN-SANMLTNESA-N 536.632 4.674 10 10 KJCE Cc1ccc(Cn2nc(C(F)(F)F)c3c2OC(N)=C(C(=O)N2CCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1865034343 UFSSTHWXERVSDE-OAQYLSRUSA-N 542.558 4.767 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865038090 UHHJBINNHXQTGP-QYBDOPJKSA-N 524.621 4.952 10 10 KJCE CCCc1nn(CCC)c2c1[C@@H](c1ccc(CC)cc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865497892 WIXTURQEQFRYNJ-HHHXNRCGSA-N 543.712 4.860 10 10 KJCE CC(C)(C)OC(=O)N(CCC(=O)NC(C)(C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)Cc1ccncc1 1867084913 HJPFIWRVIGIELO-UHFFFAOYSA-N 570.646 4.518 10 10 KJCE CCOC(=O)CN(C)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(C(C)(C)C)cc2)n1 1867995671 VFAXZJRHEJPKSN-UHFFFAOYSA-N 517.674 4.776 10 10 KJCE CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@H]2C(=O)c2ccc(OC)c(C)c2)n1 1869125573 NEALPXINCZEDLF-VWLOTQADSA-N 515.658 4.543 10 10 KJCE COc1ccccc1OCCOc1ccc(C=C2C(=N)N3N=C(COc4ccccc4)SC3=NC2=O)cc1OC 2293233234 XJXHGIBLMHUQOG-UHFFFAOYSA-N 558.616 4.860 10 10 KJCE CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1C 2296545544 YWTQXKAJPXAGCV-OAQYLSRUSA-N 539.704 4.635 10 10 KJCE COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC4=C[C@H]5C[C@@H](CN6CCCC[C@@H]56)[C@@H]43)c2oc1=O 1614472687 BLXVPVHYARHCKD-QGHKNZBBSA-N 527.061 4.571 10 10 KJCE COc1ccc(N2CCN(C(=O)c3cc(-c4cc(OC)ccc4OC)n(-c4ccc(C)cc4)n3)CC2)cc1 1862352151 ZEEPDMFAHTWDFM-UHFFFAOYSA-N 512.610 4.836 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864010406 MFNZYCFBOJMZBH-RUZDIDTESA-N 510.594 4.555 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1864012950 MUBUPXLWGNKPPM-RUZDIDTESA-N 518.658 4.995 10 10 KJCE 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CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(C)c(I)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 33353463 FMPYQURAUHEEPG-VIYYDIFJSA-N 681.552 4.848 10 10 KJCE CCOc1ccc2c(c1)C(=C1SC(C(=O)OC)=C(C(=O)OC)S1)C(=S)C(C)(C)N2C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 164753663 YJXCNEQVPIXMNU-OAHLLOKOSA-N 652.772 4.971 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 1083908870 HCBQLLALYSOGQQ-WQRHYEAKSA-N 554.983 4.986 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(N4CCC[C@@H](C)C4)nc4c(C)cccn4c3=O)SC2=S)cc1 1772721269 CPRCSEQVWSESAW-VVRYKASASA-N 520.680 4.649 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864011392 TXNPKRJSQDJTSB-RUZDIDTESA-N 510.594 4.555 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCC1)=C(N)O2 1864012746 IJUGLDBEQGHTJP-RUZDIDTESA-N 534.632 4.968 10 10 KJCE CCCc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccc(CC)cc1)=C(N)O2 1864013929 JDZRNVNCOKWSLF-WXTAPIANSA-N 539.636 4.765 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)CC)=C(N)O2 1864014055 MGKXVNXIAJMXLW-SSOJOUAXSA-N 512.610 4.999 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864022842 YRXVIUOJWOISCZ-UGCFTGHSSA-N 534.701 4.928 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865029674 SNKIQICWWOSZGC-AREMUKBSSA-N 524.621 4.898 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCCC[C@H]2C)=C(N)O3)cc1 1865032677 HZIPIOFWOXMXIP-KOSHJBKYSA-N 532.641 4.722 10 10 KJCE C[C@@H](C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCC1 1867015236 JFHSHBKFTVOXIQ-WXTAPIANSA-N 510.590 4.660 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867924521 DAFDIYQSLQFCOB-KKLWWLSJSA-N 647.776 4.826 10 10 KJCE CC[C@@H](NC(=O)C[C@H](c1ccc(F)cc1)c1cccc(F)c1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868726133 RPIXWPJUUDQOGQ-VSGBNLITSA-N 521.608 4.739 10 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O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(OCCCOc3ccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)cc3)cc1)C2=O 105667845 YQSMEOWWHIPZBJ-UHFFFAOYSA-N 606.543 4.532 10 10 KJCE CCCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 110524745 VIPDWABJVGTZRO-QQTULTPQSA-N 601.839 4.987 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084220148 SVSUMEDPNQJMJG-GRSHGNNSSA-N 542.773 4.875 10 10 KJCE Cc1cc(/C=C2/C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 1084373889 NDBWYNFAPZKATD-OCKHKDLRSA-N 542.773 4.875 10 10 KJCE Cc1nn(CC(C)C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H](C)C13CC4CC(CC(C4)C1)C3)=C(N)O2 1864010804 WZBHVNUVRATNAZ-BRYORESUSA-N 520.674 4.674 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864011333 GVVMNHGHEUEFBU-QHCPKHFHSA-N 511.022 4.696 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864013068 PKUWVFSZUIUYPF-DEOSSOPVSA-N 522.621 4.825 10 10 KJCE CCCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCC1)=C(N)O2 1864013343 WIIQKUYYVDJFPU-XMMPIXPASA-N 520.605 4.578 10 10 KJCE NC1=C(C(=O)NCc2ccco2)[C@H](c2ccc(O)c(O)c2)c2c(C(F)(F)F)nn(-c3ccccc3Cl)c2O1 1864015426 QZTOFPBZWPMSLW-GOSISDBHSA-N 546.889 4.560 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864018278 HPAIWGYOZGYZPY-RUZDIDTESA-N 532.616 4.745 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccccc1)=C(N)O2 1864019214 WJCVPTYOUZJPFB-RUZDIDTESA-N 545.039 4.612 10 10 KJCE CCc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(-c4ccc(OC)cc4)nn3C)[C@@H]2c2ccc(O)c(O)c2)cc1 1864021450 BYSGUEFAHWWMIY-NSYGIPOTSA-N 540.620 4.641 10 10 KJCE O=C1c2ccccc2C(=O)c2c(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3nc(C4CC4)n4ccccc34)cccc21 1866861057 YTXPKTBFYWNZOD-AREMUKBSSA-N 554.606 4.967 10 10 KJCE Cc1cc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867871067 JBKBXTXEZXRIPD-PQHLKRTFSA-N 575.685 4.793 10 10 KJCE CCN1C(=O)C(=Cc2cn(CCOc3ccc(C)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509049 OJPAPWDVZVMYEV-UHFFFAOYSA-N 571.699 4.957 10 10 KJCE CCCOc1ccc(C=C2C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OCC 2313548966 KHVXCPFJTNOERT-UHFFFAOYSA-N 501.377 4.920 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)C2=O)cc1 101281882 AJFAAFABLXPFIG-MTJSOVHGSA-N 548.715 4.710 10 10 KJCE COc1ccc([C@@H](CNC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)N2CCCCC2)cc1 101344570 XBWJDBRXJLTIOJ-IQDKPADRSA-N 530.115 4.893 10 10 KJCE CCN1/C(=c2/s/c(=C3\SC(=S)N(c4ccccc4)C3=O)n(-c3ccccc3)c2=O)C=Cc2ccccc21 103507830 IKACLDKSWYUMOV-GGCNHVAISA-N 539.707 4.734 10 10 KJCE CCCn1c(N2CCN(c3ccccc3F)CC2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O 110526876 NPEYANBITATRHG-IWIPYMOSSA-N 553.729 4.761 10 10 KJCE COc1ccccc1NC(=O)COc1c(I)cc(/C=C2/C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 150481549 WEXZRCBOHPDKKP-UDWIEESQSA-N 641.418 4.830 10 10 KJCE CCCOc1ccc(CC(=O)N[C@H](C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2)cc1C 1861899952 DQFNBIJYVIFPKU-PMERELPUSA-N 515.654 4.541 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(Cl)c1)=C(N)O2 1864008248 GPWMIWCUSMQACM-HSZRJFAPSA-N 537.403 4.910 10 10 KJCE CCCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCC1)=C(N)O2 1864013296 VKDLMBIAOVBVHH-HSZRJFAPSA-N 523.033 4.702 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3CC(C)C)[C@H]2c2ccc(O)c(O)c2)c1 1864015310 OFKHBHBLCRLUCQ-RUZDIDTESA-N 524.621 4.937 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865027789 LDDBGHQCLPSBOG-VWLOTQADSA-N 528.996 4.525 10 10 KJCE CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867731356 UDASLVVUAIDPKU-LOYHVIPDSA-N 599.707 4.544 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4ccco4)n(-c4ccccc4Cl)n3)CC2)cc1 1869969197 JBSQAGZURNEEEY-OUKQBFOZSA-N 504.978 4.501 10 10 KJCE Cc1ccc(C2=S=C(c3ccc(F)cc3)C(S(=O)(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)=N2)cc1 1871281455 UARWCFCQUDQCGI-UHFFFAOYSA-N 503.964 4.982 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1873167603 OYKGJTDEOOTYBX-UHFFFAOYSA-N 505.062 4.959 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCC(=O)O)C3=O)c(N3CCC(Cc4ccccc4)CC3)nc12 2296706653 FDWCCDHQBYQHMU-UHFFFAOYSA-N 562.717 4.528 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)NC(=O)C(C)=Cc3cccc(Cl)c3)CC2)cc1 2330123356 FPLKYMHTZICNBY-NDEPHWFRSA-N 534.056 4.534 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccc2c(c1)OCO2 150658292 UGTQSHHZSKRYTR-OGLMXYFKSA-N 646.772 4.690 10 10 KJCE COc1cccc(C2=C(O)C(=O)N(c3ccc(N4CCN(C)CC4)cc3)[C@@H]2c2ccc(N(C)C)cc2)c1OC 526390135 YUVGNCPUTNMOJO-MUUNZHRXSA-N 528.653 4.579 10 10 KJCE CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)c1 1084207840 FFTYIKZOCIFAFJ-HMAPJEAMSA-N 536.382 4.700 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(F)cc1 1084327806 GNSJPBAYVMCPDT-SANMLTNESA-N 641.506 4.950 10 10 KJCE Cc1cccc(NC(=O)Cn2cc(/C=C3/C(=O)NC(=S)N(c4ccccc4F)C3=O)c3ccccc32)c1 1084412511 XHKIAXDPTANUEW-STZFKDTASA-N 512.566 4.559 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864016598 TZPODJUDRITEEA-DEOSSOPVSA-N 528.584 4.760 10 10 KJCE CCCCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2CC(C)C)[C@H]1c1ccc(O)c(O)c1 1865033273 VYNVSWRZLYRBOV-XMMPIXPASA-N 534.657 4.969 10 10 KJCE O=C(N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)on1 1867151964 HVWAHIMWRUVXSY-RUZDIDTESA-N 551.624 4.998 10 10 KJCE COc1cc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc(OC)c1OC 1867337478 GHBJCVTWKTXLPG-OFSOJUDTSA-N 574.722 4.593 10 10 KJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)NCC(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867572682 ANTJBAWZDVGTIC-HKBQPEDESA-N 609.771 4.751 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)c2ccccc2)N2CCCCC2)cc1 1867772912 IQBGNKHFPRBHAN-FQLXRVMXSA-N 516.661 4.576 10 10 KJCE CCOC(=O)N1CCC(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(C3CCCCC3)C2=O)CC1 1873162306 PDABOVHPZDGSAP-UHFFFAOYSA-N 518.658 4.717 10 10 KJCE Cc1ccc2nc(N3CCCCC3)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 2297461120 BKIBMKXJLXUCRN-UHFFFAOYSA-N 504.681 4.827 10 10 KJCE O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Br)c(I)o1 2313556028 JTWVJEGFLRUTQQ-UHFFFAOYSA-N 572.005 4.785 10 10 KJCE CCC(=CC(=O)NC(C)(C)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 2331530350 WXVSTWTVBZXFOB-UHFFFAOYSA-N 544.490 4.503 10 10 KJCE Cc1ccc(COc2ccc(C(=O)NN3C(=O)/C(=C\c4ccc(C(=O)O)cc4)SC3=S)cc2)cc1 16906087 DEJGAURLNOXOPZ-HYARGMPZSA-N 504.589 4.818 10 10 KJCE CCCCn1c(N2CCCC2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110528510 QNRGLFSQDDKBBM-ULJHMMPZSA-N 588.759 4.632 10 10 KJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@H]2c2ccc(O)c(O)c2)c1 526629981 DLEALVOUPZOMCM-VWLOTQADSA-N 507.539 4.970 10 10 KJCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)cc1 1864008558 MYMCMVRICOFZNS-BZQUYTCOSA-N 547.011 4.826 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864011824 YYLUXHPOYQYAQD-JOCHJYFZSA-N 511.022 4.890 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cc(C)ccc2C)[C@@H]1c1ccc(O)c(O)c1 1864012521 BYVIRLRJYKCXRA-VWLOTQADSA-N 518.658 4.913 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)N2CCCCC2)cc1 1867528682 QTFVDCPAGINJPW-GPOMZPHUSA-N 659.787 4.943 10 10 KJCE CC[C@H](C)NC(=O)COc1cn(CCCCCO)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870960399 PZSYQZUQWYUMFH-QFIPXVFZSA-N 506.647 4.660 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCn3ccnc3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873168086 IRBJMAVTKAURKO-UHFFFAOYSA-N 528.056 4.947 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(Br)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873425991 QPKDGZMTIGFAOR-UHFFFAOYSA-N 563.496 4.771 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 2296070800 MFQPUIKGWOIMOM-UHFFFAOYSA-N 528.550 4.635 10 10 KJCE COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 2313559101 RCGGGNQHEDGMHU-UHFFFAOYSA-N 541.944 4.806 10 10 KJCE CCCn1c(N2CCCCC2)c(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c(C)c(C#N)c1=O 39989981 MXKMDNOZNQMKNY-HMAPJEAMSA-N 510.660 4.969 10 10 KJCE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 40321816 VKOZGUOBDRPNAI-NRFANRHFSA-N 503.020 4.653 10 10 KJCE CCN1/C(=C\C=c2sc(=C3SC(=S)N(C)C3=O)n(CC)c2=O)C(C)(C)c2cc(-c3ccccc3)ccc21 254380340 NKJFAAYGWSYTCH-HMPPOKNTSA-N 547.771 4.677 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cccc(NC(C)=O)c3)[C@H]2c2ccc(O)c(O)c2)cc1OCC 526395912 SXBBLVUVGNAHNW-SANMLTNESA-N 504.539 4.911 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCCc1ccccc1)=C(N)O2 1864017524 OFCVZYQLGYIIQI-AREMUKBSSA-N 524.621 4.680 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865032904 NRIXGRVMHXYPJH-KXNSMUHISA-N 523.033 4.698 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc(OC(=O)OCC)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867298153 ALNDXKMBHZQQSD-IZLXSDGUSA-N 552.716 4.920 10 10 KJCE Cc1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)ccc1[N+](=O)[O-] 1867875107 QHVHDMFYCIIJHZ-PQHLKRTFSA-N 557.695 4.654 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC(=O)N5CCc6ccccc6[C@@H]5C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869280192 HENLSEKVUCQYBG-LJAQVGFWSA-N 564.665 4.564 10 10 KJCE Cc1cc(/C=C2\C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8778089 AIXBNGYVQADHJR-IMRQLAEWSA-N 605.717 4.531 10 10 KJCE CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1c(C)nn(-c2ccc(I)cc2)c1O 103872557 JXCFCHGGZYGDRK-YBFXNURJSA-N 518.742 4.950 10 10 KJCE O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(O)c(-c3nc4cc(N5C(=O)c6ccc(C(=O)O)cc6C5=O)ccc4s3)c1)C2=O 105645956 OSKYVJCHNLZCAA-UHFFFAOYSA-N 605.540 4.667 10 10 KJCE COc1ccc(OCCCC(=O)N2CCC(C(=O)Nc3cccc4c3C(=O)c3ccccc3C4=O)CC2)cc1 1860593090 YMTNOTVUEHJVNP-UHFFFAOYSA-N 526.589 4.507 10 10 KJCE CCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1Cl)[C@H]2c1ccc(O)c(O)c1 1864016129 HZYSGCQNIXRNGJ-QFIPXVFZSA-N 516.985 4.646 10 10 KJCE CC1CCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)CC1 1865032189 XNRPHSLPYVWOTN-LJQANCHMSA-N 548.949 4.909 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865032356 AUCJBYQTCTWCHV-RUZDIDTESA-N 508.578 4.520 10 10 KJCE CCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867622126 ZBDKFJVBKJGYEP-ZWXJPIIXSA-N 609.771 4.791 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)N2CCCCC2)cc1 1867720770 GYEZHLQEOFTHRU-LJAQVGFWSA-N 599.707 4.544 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc(F)c(F)c2F)N2CCCCC2)cc1 1867809094 KQTQARHKXJHDID-RRPNLBNLSA-N 570.631 4.994 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@@H](c3ccc(F)cc3)c3cccc(F)c3)C(C)C)CC2)cc1 1868719672 QUIRTRMVTZJDIU-JDXGNMNLSA-N 535.635 4.985 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@H](c3ccc(Br)cc3)C(C)C)C(C)C)CC2)cc1 1868847669 FFRWVZLPLOFVJN-DQEYMECFSA-N 530.507 4.687 10 10 KJCE COc1ccc(Cn2cc(OCC=C(C)C)c(=O)cc2CN2CCN(c3ccc(OC)cc3)CC2)cc1 1870612665 IIRUYKLFMTXWGE-UHFFFAOYSA-N 503.643 4.581 10 10 KJCE CCOC(=O)N1CCC(N2C(=O)C(Nc3cccc(NC(C)=O)c3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)CC1 1873416983 LXELHFYDMUYEGU-UHFFFAOYSA-N 569.662 4.865 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)c(OC)c1 1873418497 LIHMYZXSFZUJJV-UHFFFAOYSA-N 508.578 4.899 10 10 KJCE CCOCCCN1C(=O)C(Nc2ccc(CC(=O)OCC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873422870 SYPAOAMKXHLQNQ-UHFFFAOYSA-N 529.637 4.818 10 10 KJCE CCOc1cc(C=C2C(=N)N3C(SCC)=NSC3=NC2=O)cc(Br)c1OC(=O)c1ccco1 2297341045 JYIBFWOPAMWFGY-UHFFFAOYSA-N 549.428 4.990 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(NC[C@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314475810 CPANBXXUIRIIFT-QHCPKHFHSA-N 558.685 4.558 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3cc4cc(C)ccc4nc3N3CCC(C(N)=O)CC3)SC2=S)cc1 2314650702 XGCDMRLTCQDNJI-UHFFFAOYSA-N 516.692 4.955 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(Br)c1OCC(=O)N(CC)CC 2314765135 VSRVVDUJCXQERG-UHFFFAOYSA-N 592.537 4.641 10 10 KJCE CCOc1cc(C=C2SC(=S)N([C@H](C(=O)OC)c3ccccc3)C2=O)ccc1OCC(=O)N1CCCCC1 2314770015 XYIRPGIAIYCJHQ-VWLOTQADSA-N 554.690 4.592 10 10 KJCE CCN(CC)c1ccc(CN2C[C@@H](NC3C4CC5CC(C4)CC3C5)C[C@H]2C(=O)NCc2cccnc2)cc1 20210522 WRHCGHZABRXKST-ACCVDXSVSA-N 515.746 4.601 10 10 KJCE Cc1ccc2nc(N3CCCCC3)c(/C=C3/SC(=S)N(CCCc4ccccc4)C3=O)c(=O)n2c1 33906968 BKIBMKXJLXUCRN-OQKWZONESA-N 504.681 4.827 10 10 KJCE CCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)SC1=S 40938755 FNTBKCWJUAFAHN-VBKFSLOCSA-N 502.452 4.791 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3c(F)cccc3Cl)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 101283061 SMJGLIKWTCLQBS-QLTNSANVSA-N 567.129 4.595 10 10 KJCE COC(=O)CCCCCN1C(=O)/C(=C\c2cc(Br)c(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101731641 TYHDCVNSTWSRRR-HMMYKYKNSA-N 599.569 4.784 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 252676523 XIDJFLBGGDBTLE-AREMUKBSSA-N 593.061 4.686 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)cc1OC 526629723 AZOWPJPZLWIIRB-RUZDIDTESA-N 523.538 4.588 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)sc(C)c1-c1ccc(F)cc1 1860746862 ICFFDPOOAXMLMU-UHFFFAOYSA-N 501.492 4.533 10 10 KJCE COc1ccc(CN2C(=O)c3ccc(C(=O)Nc4cccc5c4C(=O)c4ccccc4C5=O)cc3C2=O)cc1 1861862243 SCCDHKDVDBJGHX-UHFFFAOYSA-N 516.509 4.519 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCC(C)C)[C@@H]3c2ccc(O)c(O)c2)cc1 1864014071 MTHFKMQWCOZHKK-XMMPIXPASA-N 510.594 4.726 10 10 KJCE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@H]3c2ccc(O)c(O)c2)c1 1864016571 SOJGTMUWPOUFBG-VWLOTQADSA-N 524.621 4.846 10 10 KJCE CCc1sc(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c(C(=O)OC)c1-c1ccc(Br)cc1 1865989129 ZPBHBKAQJRLFNS-IBGZPJMESA-N 633.542 4.565 10 10 KJCE C[C@@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)C1CCCC1 1867015233 JFHSHBKFTVOXIQ-DWXRJYCRSA-N 510.590 4.660 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cccc(Br)c2)N2CCCCC2)cc1 1867411998 SOTRTTQSIRQIPL-VMPREFPWSA-N 593.566 4.905 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCC[C@H](CO)C4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1867998658 JIJBUXMXXBEKDR-QHCPKHFHSA-N 515.702 4.985 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)c3cccc(-n4cccc4)c3)CC2)cc1 1868614670 UVEPJRQSWGJQHU-SSEXGKCCSA-N 554.716 4.867 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)s4)n(-c4ccccc4Cl)[nH]3)CC2)cc1 1869969188 IXKYXUYOGCQJND-UHFFFAOYSA-N 529.453 4.645 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)[C@@H](C)Oc4ccc(C(C)C)cc4)n(C(C)(C)C)n3)CC2)cc1 1869969923 AIZFBXIDHBJNMQ-OAQYLSRUSA-N 520.678 4.898 10 10 KJCE COC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1 1873418947 IMDSIIJYHISDJJ-UHFFFAOYSA-N 520.589 4.597 10 10 KJCE 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O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c([N+](=O)[O-])c1 103806027 CUCBVFVSECZLJL-UHFFFAOYSA-N 579.616 4.661 10 10 KJCE O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1sc2c(c1C(=O)NCc1cccnc1)CCC2 207822077 OKLUJCCBIKTWOG-XDHOZWIPSA-N 554.744 4.853 10 10 KJCE CCCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865029506 OZTSVJJELIEXMU-AREMUKBSSA-N 540.620 4.598 10 10 KJCE CCCc1nn(CCC)c2c1[C@H](c1sccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865337388 KKODHHHWEJIPTQ-DEOSSOPVSA-N 535.714 4.668 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc(Cl)cc2)N2CCCCC2)cc1 1867370179 NRGBLWDKVMZYOI-VMPREFPWSA-N 549.115 4.796 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867779309 DVIAMZZCYFUEFG-NDKRRWIDSA-N 628.774 4.651 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)c3cc(C4CC4)n4nc(-c5ccccc5Cl)cc4n3)CC2)cc1 1869008048 XOGFLVLNHVYECB-UHFFFAOYSA-N 573.097 4.793 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(F)cc3)NC(=O)Cc3ccc(C)c(Br)c3)CC2)cc1 1869028570 UJZRADVIEKHRCK-HHHXNRCGSA-N 568.487 4.524 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CC[C@H](O)C[C@@H]4c4ccc(OC)c(OC)c4)nc(C(C)(C)C)n3)CC2)cc1 1869194261 GCNCZWBUIFSKOE-AZGAKELHSA-N 561.727 4.829 10 10 KJCE O=c1cc(CNc2ccc(Nc3ccccc3)cc2)n(C[C@@H](O)c2ccc(Cl)cc2)cc1OCCO 1870791902 RNHJXXHGHJQSHR-HHHXNRCGSA-N 506.002 4.962 10 10 KJCE COc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3SC(C)C)cc(Cl)c1OC(=O)c1ccco1 2297341081 RNORARLWXGMZGP-UHFFFAOYSA-N 504.977 4.879 10 10 KJCE O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(I)c1 2313559369 XGJRVKSGQVYAGL-UHFFFAOYSA-N 603.369 4.749 10 10 KJCE CC[C@@H]1CCCCN1c1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314399977 GKSLJJVPGGJXNB-OAQYLSRUSA-N 600.770 4.975 10 10 KJCE Cc1ccc2nc(N3C[C@@H](C)C[C@@H](C)C3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2314414002 NFHGPKOTUBGHLX-BGYRXZFFSA-N 600.770 4.689 10 10 KJCE 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CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864013004 NTWDYXRKTBPIJF-HSZRJFAPSA-N 535.000 4.553 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCOC(C)C)=C(N)O2 1864014344 SKJSVHBNDQROJF-AREMUKBSSA-N 542.636 4.625 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865034974 IMYLANRMDKIDCJ-OJLQRUNKSA-N 537.060 4.758 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867404842 OTNISVINUKAVOM-URLMMPGGSA-N 549.115 4.796 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)c2ccccc2)N2CCCCC2)cc1 1867475443 AYZZTXLEJFITKS-HEVIKAOCSA-N 644.776 4.758 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccccc2I)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867860947 JKAAGMOKIVBIBT-JSOSNVBQSA-N 682.603 4.967 10 10 KJCE Cc1cc(Br)c(N2C(=O)NC(=O)C(=Cc3c(C)nn(Cc4ccccc4)c3C)C2=O)cc1C 2313548042 JPEFAFGJXHZKEN-UHFFFAOYSA-N 507.388 4.594 10 10 KJCE C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 100884325 IOMZKWXIPQNREB-UHOJPZGPSA-N 567.740 4.979 10 10 KJCE CCN(CC)S(=O)(=O)c1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)c1 110557684 ZGSFGHZSVAPTPD-VKLZREONSA-N 579.748 4.649 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3CCCC[C@H]3C)nc12 1772721409 QKYMYWBXRAGGGI-VYZAVGSRSA-N 534.663 4.512 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3ccc(C(C)C)cc3)CC2)cc1 1862143043 HSRQOEZCMJWJAA-PUMBWKRXSA-N 511.666 4.908 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864012124 RRYNPUPYLOUTSV-AREMUKBSSA-N 545.039 4.748 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864020405 YGNBADDJLVRDFT-MHZLTWQESA-N 538.648 4.657 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccc(C)cc2)[C@H]1c1ccc(O)c(O)c1 1865032187 XMJDHNLEZXXFBV-HXUWFJFHSA-N 530.547 4.954 10 10 KJCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@@H]2c1ccc(C(C)C)cc1 1865150574 JRLRTLUBXXDHSK-HHHXNRCGSA-N 529.685 4.777 10 10 KJCE CC[C@H](NC(=O)Cc1nc(-c2ccc(OC)cc2)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866678001 KZTWOKLSISLYMW-QHCPKHFHSA-N 537.572 4.510 10 10 KJCE COc1ccc(CCCN2CCN(c3cc(N4CCN(c5ccc(OC)cc5)CC4)nc(C(C)(C)C)n3)CC2)cc1 1869185714 XXFHKJNKWQFBIF-UHFFFAOYSA-N 558.771 4.873 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCC[C@@H]2C(=O)c2ccc(OC)c(C)c2)n1 1869216846 JMCFVXZARGUNTE-AREMUKBSSA-N 529.685 4.933 10 10 KJCE CCCCOC(=O)c1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCN(C)C)C2=O)c1 1873420989 BBHFBNGFADABBP-UHFFFAOYSA-N 528.653 4.805 10 10 KJCE Cc1ccc(C=C2SC(=S)N(CCC(=O)Nc3ccc(I)cc3)C2=O)cc1 2295927476 TULRCDVGZHSLHM-UHFFFAOYSA-N 508.406 4.830 10 10 KJCE COc1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 2313631574 SAJITUCCRUPXTH-UHFFFAOYSA-N 501.583 4.914 10 10 KJCE CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc(Cl)c3)C2=O)ccc1OCC(=O)N1CCCCC1 101744451 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Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864008908 UXZXYAMGFSCHTG-DEOSSOPVSA-N 521.017 4.947 10 10 KJCE Cc1ccc(C)c(Cn2nc(C)c3c2OC(N)=C(C(=O)NCc2ccccc2Cl)[C@H]3c2ccc(O)c(O)c2)c1 1864011273 FKFTWVVPFBVEMY-SANMLTNESA-N 545.039 4.932 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1)=C(N)O2 1864019197 WCALQTXWRDLMDB-XMMPIXPASA-N 531.012 4.569 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCCCC1)=C(N)O2 1865029576 QPELPWMQWHFZEP-HSZRJFAPSA-N 523.033 4.987 10 10 KJCE CCCCN(CCCC)C(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1865033229 VCTFJJYOWIQJBX-XMMPIXPASA-N 504.631 4.969 10 10 KJCE CCc1nn(Cc2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865035103 LCTQXXLRGVDBDR-WAIKUNEKSA-N 523.033 4.654 10 10 KJCE CC[C@@H](NC(=O)Cc1ccc2nc(O)c(C(C)C)cc2c1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867068099 QGISCCRYTPDCLN-XMMPIXPASA-N 535.600 4.915 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)[C@@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868843580 RURYHZWYPLCIHA-LOYHVIPDSA-N 529.681 4.525 10 10 KJCE CCc1ccccc1NC(=O)CSc1nc2ccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2[nH]1 1872825413 XEJKDBXCXNAACA-UHFFFAOYSA-N 529.666 4.827 10 10 KJCE COc1ccc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(Cc3ccccc3)C2=O)cc1 2296848531 BDOTVZCXDHQERE-UHFFFAOYSA-N 501.589 4.897 10 10 KJCE COc1cc([N+](=O)[O-])ccc1NC(=O)C(=Cc1ccc(N(C)C)cc1)NC(=O)c1ccccc1Br 2297298754 FOURQRIJJMCBDC-UHFFFAOYSA-N 539.386 4.842 10 10 KJCE CCN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3I)c(OC)c2)SC1=S 2297324934 CGLVGJUXEMJESY-UHFFFAOYSA-N 525.389 4.740 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc(I)c1OCC 2297498993 FTSFJAJQZQQTSL-UHFFFAOYSA-N 554.431 4.635 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314413957 MDGWLMXIAYBFIE-QZTJIDSGSA-N 520.680 4.587 10 10 KJCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1C=C1SC(=S)N([C@@H](C)c2ccccc2)C1=O 2314414018 NQXZURPYMARSKG-SFHVURJKSA-N 508.669 4.804 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 2314506877 GMCIGJDSIQEANZ-GOSISDBHSA-N 569.730 4.615 10 10 KJCE Cc1ccc2nc(N3CCC(C(N)=O)CC3)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)cc2c1 40562694 MXXIWWLDPHGBPP-ULJHMMPZSA-N 516.692 4.689 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCCOc1cc(C)ccc1C 102479791 KUDJPSMQEGZNKQ-QCLJFUGUSA-N 527.606 4.832 10 10 KJCE CCc1nn(-c2ccc(OC)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CCCCCCC1)=C(N)O2 1864016928 ALKKAUDNNZAGQB-RUZDIDTESA-N 532.641 4.778 10 10 KJCE Cc1nn(Cc2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@H](C)C[C@@H](C)C1)=C(N)O2 1865027421 XVTRAHHSGKMUAF-JOWJHRDDSA-N 523.033 4.504 10 10 KJCE CN(C)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867882543 ZMYVQZWOERPPAT-CONSDPRKSA-N 559.730 4.642 10 10 KJCE O=C(NCc1ccc(N2C[C@H]3CC[C@H]2C3)cc1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1892169780 CQQFWGVGEHERRN-REWPJTCUSA-N 528.049 4.876 10 10 KJCE COc1ccccc1OCCOc1c(I)cc(C=C2SC(=S)N(C)C2=O)cc1OC 2293394417 UKDLROUUVOLYHJ-UHFFFAOYSA-N 557.431 4.597 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc(Br)c1OCc1cccc(C(=O)O)c1 2313556474 AIBBNVRHVISJEO-UHFFFAOYSA-N 609.385 4.520 10 10 KJCE O=C(Cn1cc(/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2O)c2ccccc21)Nc1ccccc1 1211512 SILCIYAAUKQBQS-CIAFOILYSA-N 508.490 4.515 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@H](CSCc3ccccc3Cl)N4)CC2)cc1 2940207 SXERAIJQGVYXEV-SANMLTNESA-N 537.085 4.977 10 10 KJCE Cc1ccc(C(=O)Nc2ccc(O)c3c2C(=O)c2c(O)ccc(NC(=O)c4ccc(C)cc4)c2C3=O)cc1 38636311 QFZQJMRTQPNEEZ-UHFFFAOYSA-N 506.514 4.995 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)NC3=O)c2)C1 110558501 RKJSIVNTMOMNLK-JDQAAXRKSA-N 538.720 4.695 10 10 KJCE O=C1NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCCCC2)c1 213224636 QVBJYWJLJKQECP-CJLVFECKSA-N 524.693 4.593 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)c(C)c4)c3C)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 252675828 VFBAONUWCDAPNR-NDEPHWFRSA-N 681.552 4.848 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(C(=O)O)cc1 1084098774 IMCDRAFVNDJAQQ-BKUYFWCQSA-N 565.376 4.791 10 10 KJCE CC(C)C[C@H]1NC(=O)C2(CCCCOC[C@H](C)NC1=O)CCN(Cc1cccc(C(C)(C)C)c1O)CC2 1615145241 KEHIPBQNOHRDFF-WIOPSUGQSA-N 515.739 4.508 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C)c1)=C(N)O2 1864018922 DOINYRHQIMJPKW-DEOSSOPVSA-N 531.012 4.819 10 10 KJCE C[C@@H](NC(=O)CCc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867065099 GKCGZSXWYIDLFQ-MRXNPFEDSA-N 527.577 4.801 10 10 KJCE CSCC[C@@H](NC(=O)c1snc2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867268286 CQBLQPSPOFZCCE-OAQYLSRUSA-N 515.616 4.562 10 10 KJCE Cc1nncn1C1CCN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(-c3cccnc3)n2)CC1 1868564073 KZYUAGLZLKLSBS-UHFFFAOYSA-N 542.603 4.799 10 10 KJCE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C2CCCC2)cc1 1868882434 UMMRSUKGBKSNFU-ZWXJPIIXSA-N 571.718 4.760 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccccc3)c3ccc(F)c(F)c3)C(C)C)CC2)cc1 1868950773 SPPCKUAEEDIKKC-VIZCGCQYSA-N 535.635 4.985 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(C(=O)C5CC5)CC4)nc(-c4ccc(C(C)(C)C)cc4)n3)CC2)cc1 1869347778 FMHZMPXGAXAOSQ-UHFFFAOYSA-N 554.739 4.835 10 10 KJCE COc1ccc(CCN2C(=O)C(NCCCCN3CCCC3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1 1873167410 GCQUHYYZNMCUBK-UHFFFAOYSA-N 540.708 4.891 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873170848 TZFASSLXTGAFNH-UHFFFAOYSA-N 521.665 4.582 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3N3CCOCC3)C(=O)N(CCOC(C)C)C2=O)cc1 1873420189 IXEUREZTXWMRMP-UHFFFAOYSA-N 528.653 4.548 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCCCC3)nc12 2297460316 BFHJBEKIMAIZNJ-UHFFFAOYSA-N 504.681 4.827 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(OCc2ccc(C(=O)O)cc2)c(I)c1 2313560694 COVPRMNBMQULKY-UHFFFAOYSA-N 647.219 4.997 10 10 KJCE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(=S)N(CCC(=O)O)C3=O)c2)C1 2314476160 JTKPFEAPUQREII-BGYRXZFFSA-N 610.783 4.882 10 10 KJCE C[C@@H](Oc1cccc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccccc4)cc3)C2=O)c1)C(=O)O 2314931010 KVRYXUXLPHBZGX-QGZVFWFLSA-N 534.615 4.664 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(O)cc3)NC(=O)C=C(c3ccc(C)c(C)c3)C3CC3)CC2)cc1 2329548996 SBQMZCFKWRKSDI-JGCGQSQUSA-N 553.703 4.887 10 10 KJCE Cc1ccc(NC(=O)CSc2nnc(NC3=NC(=O)/C(=C4/C(=O)Nc5ccc(Br)cc54)S3)s2)cc1 102371678 QWCATAAPDMDFHX-MSUUIHNZSA-N 587.506 4.745 10 10 KJCE CCCOc1ccc(C2=C(O)C(=O)N(c3ccc(NC(C)=O)cc3)[C@H]2c2ccc(O)c(O)c2)cc1OC 526333069 MMKBLZLOYWDPSQ-SANMLTNESA-N 504.539 4.911 10 10 KJCE CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c(Br)cc1OCc1ccc(C(=O)O)cc1 1084047097 DPPYLVQKVWAIRN-JAIQZWGSSA-N 583.366 4.931 10 10 KJCE Cc1ccc(C)c(CNC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@@H]2c2ccc(O)c(O)c2)c1 1864008355 IUPKPQUZSILHLG-VWLOTQADSA-N 531.012 4.873 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015003 HWYJGKCGGASGPG-SFHVURJKSA-N 536.938 4.813 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864021315 AJQSBBMXYWUSLM-BVZFJXPGSA-N 540.620 4.628 10 10 KJCE CCCc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865030524 LOMVYOGGKFVKFT-JOCHJYFZSA-N 529.012 4.651 10 10 KJCE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1865034047 NVXBWZWTEYHWKN-XOBRGWDASA-N 546.521 4.596 10 10 KJCE CCCC[C@@H](NC(=O)CCCc1ccc2c(c1)OCCO2)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866788823 DJMQZCAWTIXBJT-RUZDIDTESA-N 540.616 4.870 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C3(c4ccc(N)cc4)CCCCC3)CC2)cc1 1868929778 OOMRUWXGSYLIHA-PMERELPUSA-N 540.708 4.556 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(Cc4ccccc4)n3)CC2)cc1 1869086889 SLVZFQGYQMVOAZ-UMSFTDKQSA-N 587.728 4.572 10 10 KJCE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccccn2)C1=O 1873418923 HBNQGDIKAZJIDH-UHFFFAOYSA-N 523.549 4.798 10 10 KJCE COc1ccc(CCN2C(=O)C(=Cc3c(NCCCOC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 2296545930 BMGLSCPRZTZTDQ-UHFFFAOYSA-N 552.722 4.682 10 10 KJCE O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)C1=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12 2297555777 UKJCMBNCNKTDBW-UHFFFAOYSA-N 592.696 4.634 10 10 KJCE CCCCCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2cc(Br)ccc21 2533767 PEMKBWSGRKJJBV-ISLYRVAYSA-N 511.463 4.812 10 10 KJCE COc1cc(/C=C2\SC(=S)N([C@H]3CC(=O)N(CCCCC(=O)O)C3=O)C2=O)ccc1OCc1ccc(Cl)cc1 101974636 TXLITSHGQKHRMG-CVHFWEDTSA-N 589.091 4.511 10 10 KJCE CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccc(OC)cc2)C1=O 102686763 TWSVLRMKFZKJMI-RELWKKBWSA-N 522.696 4.773 10 10 KJCE CCOC(=O)c1ccc(Oc2c(C(F)(F)F)oc3c(CN4CCC(C(=O)O)CC4)c(O)ccc3c2=O)cc1 103896210 MGNGDOIBCOZNJE-UHFFFAOYSA-N 535.471 4.783 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccccc3N3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(OC)c1 526499844 HSGRVMHWIXLURQ-MUUNZHRXSA-N 515.610 4.664 10 10 KJCE CCOc1cc(C2=C(O)C(=O)N(c3cc(NC(C)=O)ccc3C)[C@@H]2c2ccc(O)c(O)c2)ccc1OC 526511637 SBWPXDAALNNPKL-AREMUKBSSA-N 504.539 4.829 10 10 KJCE CCCCC[C@@H](CC)NC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864012853 KUDOZNKDMATXRI-DVECYGJZSA-N 519.646 4.801 10 10 KJCE Cc1ccc(-n2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NCc2ccco2)[C@H]3c2ccc(O)c(O)c2)cc1 1864014121 NTERDHRXBADYPW-VWLOTQADSA-N 534.572 4.863 10 10 KJCE CCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016452 PKUBRCNAVNFLCE-DEOSSOPVSA-N 510.594 4.539 10 10 KJCE Cc1ccc(C)c(Cn2nc(-c3ccccc3)c3c2OC(N)=C(C(=O)NC(C)C)[C@@H]3c2ccc(O)c(O)c2)c1 1864016570 SOJGTMUWPOUFBG-RUZDIDTESA-N 524.621 4.846 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@H](C)c1ccccc1)[C@H]2c1ccc(O)c(O)c1 1864017974 ZNWMNHAIALNIHQ-CJAUYULYSA-N 540.620 4.952 10 10 KJCE CCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccco1)=C(N)O2 1864020659 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Cc1ccc2nc(N3CCN(c4ccccc4)CC3)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 102593816 IPDXPJYHCOANRI-HAVVHWLPSA-N 533.723 4.577 10 10 KJCE Cc1ccc(C(F)(F)F)cc1N1C(=O)[C@@H]2[C@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C1=O 104623621 MWJSILPXNACYJJ-FKBYEOEOSA-N 505.448 4.709 10 10 KJCE COc1ccc([C@@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1864008561 MYMCMVRICOFZNS-SGANQWHYSA-N 547.011 4.826 10 10 KJCE CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(Br)cc2)[C@@H]1c1ccc(O)c(O)c1 1864013601 DJPDNNYDLBYDNI-NRFANRHFSA-N 547.409 4.544 10 10 KJCE COc1ccc(F)cc1-c1cc(C(=O)N[C@@H](CCSC)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)nn1C 1867103899 WBHIWXAIDQTVKD-QHCPKHFHSA-N 586.645 4.500 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867922655 VCJNWXKHVFVBQV-KKLWWLSJSA-N 663.775 4.532 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccc(S(N)(=O)=O)cc3)C(=O)N(C3CCCCCCC3)C2=O)cc1 1873166624 DUMJOFGZIKHGDA-UHFFFAOYSA-N 560.720 4.724 10 10 KJCE 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4.541 10 10 KJCE CSCC[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866575167 IOFJUXQIBBBHHJ-VWLOTQADSA-N 525.630 4.753 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc3cc[nH]c3c2)N2CCCCC2)cc1 1867673027 QAZXYKYWWAMTFU-CONSDPRKSA-N 537.708 4.918 10 10 KJCE CCOC(=O)c1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)cc1 1873165605 RDEDQUMJCNKMQC-UHFFFAOYSA-N 529.637 4.566 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCc3nc4ccccc4[nH]3)C(=O)N(Cc3ccccn3)C2=O)cc1 1873168654 DRAJZHNZPXNSTL-UHFFFAOYSA-N 530.632 4.868 10 10 KJCE CC[C@H](C)OC(=O)c1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC)C2=O)cc1 1873420843 XBJQIHPXRSFHCT-NRFANRHFSA-N 515.610 4.888 10 10 KJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCc3ccc(F)cc3)ncnc21 1875204164 BZZBXMLPMXHDSV-UHFFFAOYSA-N 502.594 4.564 10 10 KJCE COc1ccc([C@H](CNC(=O)CCN2C(=O)C(=Cc3ccc(C)cc3)SC2=S)N2CCCCC2)cc1 2314625190 KRTDXHONUUSKCC-DEOSSOPVSA-N 523.724 4.938 10 10 KJCE COc1ccc(/C=C/C(=O)Oc2ccc(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)cc2OC)cc1 33595777 NJSAIEZYGYMNSV-HPUPARFHSA-N 511.621 4.703 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(Oc4ccccc4OC)nc4ccccn4c3=O)SC2=S)cc1 101062171 MSFLSWMFKNOTCZ-PXLXIMEGSA-N 531.615 4.905 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCCOc1ccccc1C 101397287 OQGZURWWDOOZGY-RCCKNPSSSA-N 506.942 4.781 10 10 KJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 110525533 LQPROPLOIBHLEY-LIAPLOTISA-N 602.786 4.878 10 10 KJCE CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCC3)c2)SC1=S 110557051 SIMUPKWDNZENJL-CJLVFECKSA-N 524.693 4.545 10 10 KJCE COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)oc12 110926991 HBJSIIPZXSAJID-PPRFWAEMSA-N 551.671 4.682 10 10 KJCE CC[C@H](NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c1cc(Br)ccc1O 389247205 BZTCCDSZLDYDAF-KRWDZBQOSA-N 502.450 4.613 10 10 KJCE CCCn1nc(CC)c2c1OC(N)=C(C(=O)NC(c1ccccc1)c1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1864021570 PYIYVPVWJVVQHQ-RUZDIDTESA-N 524.621 4.867 10 10 KJCE Cc1nn(Cc2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@@H](C)C1)=C(N)O2 1865027196 VUEZELHSDVJTHB-QKFKETGDSA-N 543.451 4.911 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865032424 CCXUUZHZAFMKOY-RUZDIDTESA-N 516.642 4.699 10 10 KJCE CCOC(=O)c1c(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccc(Cl)cc1 1865988858 PHNFRADHFDQRAV-HXUWFJFHSA-N 589.091 4.592 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867057432 IHLFOFCAOXVTNV-LXQNXJGFSA-N 572.617 4.857 10 10 KJCE O=C(C[C@@H]1CCCCO1)N[C@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867255450 BTLRXAFRIXWGDH-HFZDXXHNSA-N 542.657 4.778 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2Cl)N2CCCCC2)cc1 1867404841 OTNISVINUKAVOM-FQLXRVMXSA-N 549.115 4.796 10 10 KJCE O=C1c2ccccc2C(=O)c2c(Nc3cc(N4CCNC(=O)[C@H]4c4ccc(F)cc4)nc(-c4cccnc4)n3)cccc21 1868564655 QLWMIGWEEORVOR-GDLZYMKVSA-N 570.584 4.874 10 10 KJCE CCC[C@@H](NC(=O)C[C@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868722204 XDDMPDABJZGSIV-RRPNLBNLSA-N 509.691 4.776 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4cccc(F)c4)cn3Cc3ccco3)CC2)cc1 1870615623 MFSGIWFDURCAQM-UHFFFAOYSA-N 503.574 4.539 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3cn(CC(=O)Nc4ccc(Cl)cc4)c4ccccc34)C(=O)NC2=S)c(OC)c1 2294265309 KYBSPCLZTCGKKA-UHFFFAOYSA-N 575.046 4.782 10 10 KJCE Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2297555754 MAHGSEWARQDUCM-UHFFFAOYSA-N 598.725 4.876 10 10 KJCE COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)c(OC)c1 2313541700 VHMZGXKSSLXIHY-UHFFFAOYSA-N 540.439 4.705 10 10 KJCE COc1ccc(OC)c(/C=C2/SC(=S)N(CNc3ccc(I)cc3)C2=O)c1 59377556 IQVKKOKECRSZHU-LICLKQGHSA-N 512.394 4.579 10 10 KJCE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c(C)c(C#N)c1=O 143256403 JONRTSHKBPVHNL-BKUYFWCQSA-N 542.658 4.646 10 10 KJCE COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3ccc(O)cc3)C2=O)cc(OC)c1O 210743584 ZRLLBFICVISIMP-XSFVSMFZSA-N 502.614 4.515 10 10 KJCE CC(=C/c1ccccc1)/C=C1/SC(=S)N(CCCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C1=O 210748198 OQZMQYLWCIKUQD-DLOIKSOESA-N 529.709 4.681 10 10 KJCE COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3sc(=Cc4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1 254571613 DROJTSIABUKDOY-NDEPHWFRSA-N 541.673 4.603 10 10 KJCE CCOc1ccc(C2=C(O)C(=O)N(c3cc(C(=O)OC)cc(C(=O)OC)c3)[C@H]2c2ccc(N(C)C)cc2)cc1 526285823 DDTZNVCGKVVUDC-SANMLTNESA-N 530.577 4.782 10 10 KJCE Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C(N)O2 1864007627 QRUQRKJEWFZUFM-QHCPKHFHSA-N 536.510 4.622 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(Cl)cc1)=C(N)O2 1864008603 NVAUKDPZXLPUBX-QHCPKHFHSA-N 537.403 4.910 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(F)cc1)=C(N)O2 1864017551 OUPQJYHJFMLDPI-QHCPKHFHSA-N 534.975 4.649 10 10 KJCE CCc1nn(Cc2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864019256 XHMZAANPNFVKIS-WONHAXNMSA-N 537.060 4.948 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1cccs1)=C(N)O2 1864019296 HYXLRSPQAMBOTE-JOCHJYFZSA-N 537.041 4.614 10 10 KJCE CN(C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2)[C@@H]1c1ccc(O)c(O)c1)C1CCCCC1 1865031202 BMEWXWXGOPFRAH-FQEVSTJZSA-N 528.531 4.788 10 10 KJCE CCc1nn(CC(C)C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@]3(C)C[C@H]1CC(C)(C)C3)=C(N)O2 1865035361 ROSIRGPROVQZSN-XZNQMBMJSA-N 508.663 4.635 10 10 KJCE CSCC[C@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866796296 ZHOAXDVFQWZBCQ-NRFANRHFSA-N 534.659 4.753 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)C(C)(C)NC(=O)c2ccc(Cl)c(Cl)c2)N2CCCCC2)cc1 1867324014 OAAFNLQKKMLZCC-QHCPKHFHSA-N 505.490 4.911 10 10 KJCE CCCC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867447557 FWTXGHWMYFELDC-ZWXJPIIXSA-N 667.807 4.910 10 10 KJCE 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PQAPEQDTRDHKIM-GOSISDBHSA-N 567.129 4.676 10 10 KJCE CCCOC(=O)[C@H](c1ccccc1)N1C(=O)C(=Cc2ccc(OCC(=O)N3CCCCC3)cc2)SC1=S 2314769464 QWFFJDFBLCWDIA-VWLOTQADSA-N 538.691 4.974 10 10 KJCE CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC(=O)N3CCCCC3)c(OC)c2)SC1=S 101738371 KQTNVVBSJFTLQZ-QXHVWWCLSA-N 554.690 4.592 10 10 KJCE COc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(Br)c(C)c4)C3=O)o2)c([N+](=O)[O-])c1 103815321 FVYVRVCYBWOLOG-LICLKQGHSA-N 526.299 4.601 10 10 KJCE Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1 1615296222 STBLUYBFZNXTJU-VHDNZURFSA-N 558.747 4.519 10 10 KJCE CCCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1F)=C(N)O2 1864011858 ZGCQUKRPAPWBDI-RUZDIDTESA-N 528.584 4.695 10 10 KJCE C[C@H](NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2C)[C@H]1c1ccc(O)c(O)c1)C12CC3CC(CC(C3)C1)C2 1864016794 XMVRRXNABKUVAF-WHCUMTRJSA-N 540.664 4.914 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccc(OC)cc3)nn2Cc2ccccc2)[C@@H]1c1ccc(O)c(O)c1 1864021316 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CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N(CCS(=O)(=O)O)C2=O)cc1 2296731204 DQRIKPVYFGTTCW-UHFFFAOYSA-N 531.706 4.740 10 10 KJCE COc1ccc(-c2nnc(SCC3=CC(C)(C)N4C(=O)C(=C5SC(=S)NC5=O)c5cc(OC)cc3c54)o2)cc1 2297632340 OFYWHHHJLLWFCN-UHFFFAOYSA-N 578.697 4.927 10 10 KJCE COc1ccc(N2CCN([C@H](CNC(=O)c3cc(Br)ccc3Cl)c3ccco3)CC2)cc1 38607021 FHXYCSRNLCDTOP-JOCHJYFZSA-N 518.839 4.997 10 10 KJCE CCc1nnc(NS(=O)(=O)c2ccc(N/C=C3/C(=O)N(c4ccc(Br)c(C)c4C)N=C3C)cc2)s1 101123426 UERAIRYTXCZKJR-LDADJPATSA-N 575.514 4.999 10 10 KJCE COc1cc(/N=N/c2cc(S(=O)(=O)O)c3cccc(S(=O)(=O)O)c3c2)c(C)cc1Nc1nc(SCCCS(=O)(=O)O)nc(SCCCS(=O)(=O)O)n1 196558838 MQNUWAMSQUIUHD-ULIFNZDWSA-N 838.968 4.734 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C\c3ccc(O)cc3O)SC2=S)cc1 210745176 DIAVIWGCTNJZKT-KGENOOAVSA-N 514.625 4.675 10 10 KJCE CCc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864017751 UMMUBQDVWWZVBF-XMMPIXPASA-N 500.599 4.547 10 10 KJCE CCCc1nn(-c2ccccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865028961 CAYBNRNATSWJHJ-WAIKUNEKSA-N 523.033 4.985 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865029908 YGPRQLQJRAGVKT-DEOSSOPVSA-N 504.631 4.638 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1865031434 GUAQNGFMXYUXLX-DEOSSOPVSA-N 510.594 4.822 10 10 KJCE CCC[C@H](NC(=O)c1ccccc1Br)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867378481 VMFWUVPCLSMCGL-DQEYMECFSA-N 529.523 4.757 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)c2cccc(C)c2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867823125 QMYAVEUZVBLYHG-AJQTZOPKSA-N 570.734 4.671 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccccc3)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868685447 CJQPTRHMVHYZBQ-KYJUHHDHSA-N 511.666 4.655 10 10 KJCE COc1ccc(CCN2C(=O)C(NCc3ccco3)=C(c3ccc(-n4c(C)ccc4C)cc3)C2=O)cc1OC 1873164051 JTKQHBJFVKGPPU-UHFFFAOYSA-N 525.605 4.817 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3C)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313562115 FVQPAESDPIGLOD-UHFFFAOYSA-N 565.376 4.710 10 10 KJCE COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 2313683660 OFYKGFNTJARDKF-UHFFFAOYSA-N 584.658 4.740 10 10 KJCE Cc1ccc2nc(NC3CCCCC3)c(C=C3SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 2314414142 QODBZAOGECOOEL-UHFFFAOYSA-N 534.663 4.878 10 10 KJCE CCn1c(NCc2ccc(F)cc2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 40066506 VPYRRIGJMZTAPJ-NHDPSOOVSA-N 508.600 4.794 10 10 KJCE CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1 103603082 ONVFSDGAZOCCRS-NLRVBDNBSA-N 511.607 4.596 10 10 KJCE CCC1=NN2C(=N)/C(=C/c3cc(Cl)c(OCCOc4ccc(NC(C)=O)cc4)c(OC)c3)C(=O)N=C2S1 104602196 KYXVHDYGLDXFHV-PEYOBPGZSA-N 542.017 4.794 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(CCCC(=O)O)C3=O)c2)CC1 150448176 LRYXMXHMJDUMDZ-XHPQRKPJSA-N 668.819 4.569 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864007227 ICRINQMQQDJCKB-FOZYCNAUSA-N 509.006 4.635 10 10 KJCE CC(C)CCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864014057 MGLVDSAGTBNNCI-XMMPIXPASA-N 510.594 4.807 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccccc2Cl)[C@@H]1c1ccc(O)c(O)c1 1864015572 RWQNVODXMXMMIF-SGTLLEGYSA-N 536.938 4.624 10 10 KJCE Cc1nn(Cc2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026517 OVLZUFJRYPHIDF-XMMPIXPASA-N 523.033 4.790 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@H](C)C[C@@H](C)C2)=C(N)O3)cc1 1865032505 DRSHZRBUBVPBIC-RRQZXNHTSA-N 546.668 4.825 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3ccccc3C)CC2)cc1 1865651932 KRQCEQMEYDXYPE-GDLZYMKVSA-N 549.675 4.850 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(OC(=O)OCC)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867302305 XDDKNSMVUBHDFD-KAYWLYCHSA-N 538.689 4.530 10 10 KJCE 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CCCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCC(C)C)=C(N)O2 1864012928 MHXGJAISDGMBDX-HSZRJFAPSA-N 525.049 4.805 10 10 KJCE CCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864018706 ASBKPGPJJDGDLI-DEOSSOPVSA-N 530.650 4.594 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4Cc4ccc(C)cc4)[C@H]3c3ccccc3)CC2)cc1 1865014750 MUWOHOVPIUZVFT-GDLZYMKVSA-N 549.675 4.600 10 10 KJCE CCc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCc3ccccc3C1)=C(N)O2 1865032329 AKSXTWPJUOWUJX-VWLOTQADSA-N 543.023 4.779 10 10 KJCE CCc1nn(Cc2c(F)cccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC[C@H](C)C1)=C(N)O2 1865035231 OQNAUEUAUQZCCI-WNSKOXEYSA-N 541.023 4.651 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867884585 XZOUHCFJKLPZAY-ZCYQVOJMSA-N 562.136 4.509 10 10 KJCE CC/C(=C\C(=O)NCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(Br)ccc1OC 1868159804 HINQDCWCQBHXLB-DTQAZKPQSA-N 547.405 4.781 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)C[C@H](c3ccc(F)cc3)c3ccc(OC)c(OC)c3)CC2)cc1 1869020296 JUFTYCUWHQSRBQ-HHHXNRCGSA-N 563.670 4.617 10 10 KJCE CCOc1ccc(-c2nc(N3CCN(c4ccc(OC)cc4)CC3)cc(N(C(=O)[C@@H]3CCCN3)c3cc(C)on3)n2)cc1 1869322625 KWLSLTCEBTUWCQ-MHZLTWQESA-N 583.693 4.591 10 10 KJCE COc1ccc([N+](=O)[O-])cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(Cc2ccco2)C1=O 1873419184 SLJJAAOTBQXKJN-UHFFFAOYSA-N 512.522 4.996 10 10 KJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)Nc3ccccc3)n4Cc3ccco3)CC2)cc1 1873650262 OKJAYQPYBMTITG-UHFFFAOYSA-N 508.582 4.660 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@H](C)C[C@@H](C)C4)nc4ccc(C)cn4c3=O)SC2=S)cc1 2314414178 RKLUUZSAJWLVGP-RTBURBONSA-N 534.707 4.895 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)C(C)=Cc3cccc(Cl)c3)CC2)cc1 2330121687 BSEFUSDMJHSOAW-NDEPHWFRSA-N 536.047 4.967 10 10 KJCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c(C)c(C#N)c1=O 39989702 HPHZMWGVLCGBIR-JYBCESJWSA-N 506.697 4.729 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(NCCc3ccccc3)nc12 100886037 WTVINNDRITYBAW-NCELDCMTSA-N 608.749 4.861 10 10 KJCE CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110525540 MLNAHYGOADALEP-VJUVOTIISA-N 550.706 4.805 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NCCc2ccc(O)cc2)sc(C)c1-c1ccc(Br)cc1 1860758847 RNODDSIIHYTRCN-UHFFFAOYSA-N 531.428 4.666 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2-c2ccc(C)cc2)[C@@H]1c1ccc(O)c(O)c1 1864010154 IVVWWNJBRNEUTO-DEOSSOPVSA-N 504.631 4.936 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1864011957 NTWOQAYDJBXUJB-OFVILXPXSA-N 522.621 4.960 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)N2CCCCC2)cc1 1867912325 UUAOSCWBJDTXIG-VMPREFPWSA-N 578.113 4.999 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867924522 DAFDIYQSLQFCOB-NOCHOARKSA-N 647.776 4.826 10 10 KJCE 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CCOCCCN1C(=O)C(Nc2ccc([N+](=O)[O-])cc2C)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873425492 BDBAUCRETTXEDU-UHFFFAOYSA-N 502.571 4.929 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCCCC3)nc12 2314400172 JYODSFFUDYRGSV-UHFFFAOYSA-N 508.644 4.924 10 10 KJCE O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1CCC(=O)N(Cc1ccc(N2CCCCC2)o1)[C@H]1CCS(=O)(=O)C1 101909671 GITCFONSCWDNMR-BNDVRQRFSA-N 608.207 4.731 10 10 KJCE COc1cc(/C=C2\C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)ccc1OCc1ccc(Cl)cc1 102475282 BQSHIXZBXSNUAP-UNJPEWJUSA-N 538.029 4.559 10 10 KJCE CCCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 110531622 XERZGFYGVXSIGF-XHPQRKPJSA-N 597.782 4.922 10 10 KJCE CCCOc1c(I)cc(I)cc1/C=C1/C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 164065417 CMHOGVHQFZIBAQ-YBEGLDIGSA-N 630.220 4.968 10 10 KJCE CCCc1nn(CC)c2c1[C@H](c1cccc(Cl)c1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865095608 LPDKFLRQDXUAEF-DEOSSOPVSA-N 536.076 4.561 10 10 KJCE CCCN(CCC(=O)OCC)c1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(-c2ccc(F)cc2)n1 1867985337 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COc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)cc1 2296538258 JHBKJTKRUKHDRT-UHFFFAOYSA-N 589.695 4.512 10 10 KJCE C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)CCCN2C(=O)C(=Cc3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 2314828517 DZFDXOFPFMZMRH-UZKOGDIHSA-N 558.747 4.600 10 10 KJCE O=C(O)Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccccc3OC(F)F)SC2=S)cc1 16922748 IHCAEDDWSOQBJB-AQTBWJFISA-N 506.552 4.535 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 102479741 MFQPUIKGWOIMOM-VSNPKZGJSA-N 528.550 4.635 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCOCC3)c2)SC(=S)N1Cc1ccco1 110556563 MEDHAJADQRQZDQ-KOEQRZSOSA-N 592.724 4.555 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 205611131 HFULBTKBYAURTO-HWEDYNCSSA-N 523.724 4.942 10 10 KJCE CCc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)n2)cc1 1860559142 QQNDAAXBGKWAAS-UHFFFAOYSA-N 505.530 4.689 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@H]1C)=C(N)O2 1864008385 JHEVESUNXKISRE-FOZYCNAUSA-N 509.006 4.635 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCc1ccc(F)cc1)=C(N)O2 1864017275 JBTWCOUXOJHHKN-XMMPIXPASA-N 549.002 4.692 10 10 KJCE CCc1nn(Cc2ccccc2F)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018845 RYFAKSMJBSLRIV-XMMPIXPASA-N 549.002 4.709 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Br)cc2)[C@H]1c1ccc(O)c(O)c1 1864018973 FVOZVMKFIKLWPV-OAQYLSRUSA-N 541.446 4.609 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(O)c2cc(I)cc(F)c2n1 1866528826 BGCXCJGKPKPWLB-UHFFFAOYSA-N 538.272 4.712 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)[C@H](C)C2CCCC2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867017709 QDGRLNAECOVTKA-GDJIYFAZSA-N 552.627 4.880 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)N2CCCCC2)cc1 1867922657 VCJNWXKHVFVBQV-SZAHLOSFSA-N 663.775 4.532 10 10 KJCE COc1ccc(CNC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCCN3CCCC3)C2=O)cc1 1873166355 MVQMKMHONGKMRU-UHFFFAOYSA-N 526.681 4.848 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(N4CCCCC4)cc3)C(=O)N(CCN(C)C)C2=O)cc1 1873421230 MWPBSTSASGQTNG-UHFFFAOYSA-N 511.670 4.838 10 10 KJCE CCCCN1C(=O)C(Nc2ccc(C(=O)OCCOC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873421760 PFKDCNRAVXTLLQ-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE COc1ccc(N2CCN(c3ncnc4c3cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)n4CC(C)C)CC2)cc1 1873550680 LBFJLYRRHTUIJS-VXKWHMMOSA-N 504.679 4.541 10 10 KJCE O=C1C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 2314427836 YMIAVTSPJFYQJR-LJQANCHMSA-N 521.645 4.674 10 10 KJCE O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)SC(=S)N1C[C@H]1CCCO1 1099071 DBURMMRZGFHUQA-RXULLKCLSA-N 505.621 4.691 10 10 KJCE O=C1/C(=C/c2ccccc2)SC(=S)N1CCCC(=O)N(Cc1c(F)cccc1Cl)[C@H]1CCS(=O)(=O)C1 101283048 PQAPEQDTRDHKIM-GFHXCNCHSA-N 567.129 4.676 10 10 KJCE CCn1c(NCc2ccco2)c(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 208272321 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544.696 4.584 10 10 KJCE COc1ccc(CN2C(=O)c3ccc(C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NC[C@H](c4ccc(N(C)C)cc4)N4CCCCC4)cc3C2=O)cc1 1867453638 JFPZQAREFMOWEB-PQQNNWGCSA-N 703.840 4.948 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccc(OC(C)=O)cc3)NC(=O)C[C@@H](c3ccccc3)C3CC3)CC2)cc1 1868686541 RMCKIUDVUQHDPK-AJQTZOPKSA-N 569.702 4.581 10 10 KJCE CC[C@@H](CC(=O)N[C@](C)(CC)C(=O)N1CCN(c2ccc(OC)cc2)CC1)c1cc(Br)ccc1OC 1868960972 ILWGPLZRDZZMOI-WTYVLRPYSA-N 560.533 4.984 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@H]3CCCO3)C(=O)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1873166257 JAGSOVYZIBXFOF-RUZDIDTESA-N 508.622 4.667 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3cccc(OC(F)(F)F)c3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873426094 UGCRWARBZQDLSX-UHFFFAOYSA-N 554.569 4.517 10 10 KJCE CCCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NC[C@@H](c3ccc(O)cc3)N(C)C)ncnc21 1875214749 GQUDAMGQPXMYDS-LJAQVGFWSA-N 571.726 4.623 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCCOc4ccc(C)cc4)c(OC)c3)C2=O)cc1 2293250181 GGOPJZDMFDWAIM-UHFFFAOYSA-N 536.968 4.790 10 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COc1ccc(N2CCN(c3nc(NC(=O)/C=C/c4cccs4)n(-c4cccc(Cl)c4)n3)CC2)cc1 1869970285 HNYLTSJCOGMTQS-VAWYXSNFSA-N 521.046 4.969 10 10 KJCE O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 2296947666 ZGMITPPXFDGEQL-UHFFFAOYSA-N 514.994 4.765 10 10 KJCE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCN2C(=O)C(=Cc3cccs3)SC2=S)cc1 2314627664 QTJTWZDOYUVCSF-HXUWFJFHSA-N 515.726 4.613 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)SC(=Cc3cc(Br)cc(Br)c3O)C2=O)cc1 2314833747 VFWPEGBMCGWJEK-UHFFFAOYSA-N 556.232 4.991 10 10 KJCE COCCCOc1cc(C[C@@H](C[C@H](N=[N+]=[N-])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC 100067100 NFXACOCBDXIPEY-QORCZRPOSA-N 577.767 4.645 10 10 KJCE CCOC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C)c4ccc(S(=O)(=O)N5CCOCC5)cc43)c2C)sc2c1CCCC2 101377571 FDFYIZRUORPWKH-UQQQWYQISA-N 609.770 4.749 10 10 KJCE Cc1ccc2nc(NCc3ccc4c(c3)OCO4)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 102682466 OPWOYFBPGRODFW-ZVHZXABRSA-N 556.669 4.788 10 10 KJCE CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O 143358402 WIHFRTQVEUSPLJ-ZPZBNPFISA-N 552.722 4.829 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N4CCOCC4)c3)SC2=S)cc1 150452211 JYLARCKRTQFZJY-USHMODERSA-N 632.789 4.970 10 10 KJCE Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N(Cc3ccc([C@@H]4C[C@H]4C)o3)[C@H]3CCS(=O)(=O)C3)C2=O)cc1 256043963 STBLUYBFZNXTJU-OVBJUDBOSA-N 558.747 4.519 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NC2CCCCCCC2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008666 PIFTVCRRCDTDRJ-RUZDIDTESA-N 502.615 4.824 10 10 KJCE Cc1nn(-c2ccccc2Cl)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@@H]1CCCC[C@@H]1C)=C(N)O2 1864008871 UEVXGWXGOHHPAK-IJRIMCCZSA-N 509.006 4.635 10 10 KJCE CCCCC[C@H](CC)NC(=O)C1=C(N)Oc2c(c(C)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864011685 JYPKJVLSTSWVCL-CPJSRVTESA-N 522.621 4.960 10 10 KJCE NC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(O)c(O)c2)c2c(-c3ccccc3)nn(Cc3cccc(Cl)c3)c2O1 1865032170 XEUGSGFJZYMUJM-DEOSSOPVSA-N 543.023 4.980 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867473466 QRKUCPLETPQRMY-VSJLXWSYSA-N 658.803 4.628 10 10 KJCE CC[C@H](C)N1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867571745 UTSVIKQNUQZFTM-VWEDRDCMSA-N 641.788 4.971 10 10 KJCE CCc1nc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc(N2CCN(c3ccccc3NC(C)=O)CC2)n1 1868275161 MTLNNODUPRGNHJ-UHFFFAOYSA-N 546.631 4.843 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(CC(C)(C)C)CC4)nc(-c4ccccc4)n3)CC2)cc1 1869203260 BJWCNGNJMGUFCT-UHFFFAOYSA-N 500.691 4.647 10 10 KJCE COc1cccc(COc2cn(CCNC(C)=O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871056591 QEKOUUXQMBPWMU-UHFFFAOYSA-N 512.610 4.928 10 10 KJCE CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 2059889141 HJYYPODYNSCCOU-NIRICNDZSA-N 697.778 4.754 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(Cc4ccccc4)C3=O)c(NC[C@@H](O)c3ccccc3)nc12 2296540752 NOMXMCMMWIFTBQ-JOCHJYFZSA-N 528.659 4.550 10 10 KJCE COc1ccc(N2CCN(c3oc(-c4cccc(C)c4)nc3S(=O)(=O)c3ccc(F)cc3)CC2)cc1 39844643 ICAUDDJVODETIO-UHFFFAOYSA-N 507.587 4.957 10 10 KJCE O=C(O)/C=C\c1ccc(S(=O)(=O)Nc2c(Cl)cc(NS(=O)(=O)c3ccc(/C=C/C(=O)O)cc3)cc2Cl)cc1 101630382 QWXZBKMDMAXQRY-MCSXFCTQSA-N 597.454 4.791 10 10 KJCE CCOC(=O)c1sc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)c(C(=O)OCC)c1C 103864678 QHEVPYFPSHLKEX-WJDWOHSUSA-N 520.405 4.891 10 10 KJCE CCCCCNc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 110076714 NKKNBVAXOGYRKX-XLNRJJMWSA-N 574.732 4.809 10 10 KJCE COc1ccc(CN2C(=O)/C(=C/c3c(NC[C@@H](O)c4ccccc4)nc4ccc(C)cn4c3=O)SC2=S)cc1 110555849 CPANBXXUIRIIFT-UOAMGUFGSA-N 558.685 4.558 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NC13CC4CC(CC(C4)C1)C3)=C(N)O2 1864019125 GRBMPJKTOOKPAA-VLIPQIHSSA-N 540.664 4.934 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864019724 PUDXRSYLQZXKGH-AREMUKBSSA-N 524.621 4.533 10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865034525 YHQUZKUUZZNNJK-HXUWFJFHSA-N 548.537 4.844 10 10 KJCE CC[C@@](C)(NC(=O)Cc1nc(-c2ccccc2OC)oc1C)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866672738 RMXOHJSLIACDEZ-JGCGQSQUSA-N 551.599 4.900 10 10 KJCE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867428065 BHTGOVYLHWAQEL-JHOUSYSJSA-N 655.865 4.786 10 10 KJCE COc1ccc(CCn2cc(OCCO)c(=O)cc2CNc2ccc(Nc3ccccc3)cc2)cc1OC 1870787369 DLRKKPOOOQMJLR-UHFFFAOYSA-N 515.610 4.835 10 10 KJCE Cc1cc(C)cc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873425529 DAMKIUJVKOHFSV-UHFFFAOYSA-N 512.654 4.625 10 10 KJCE Cc1ccc(Cl)cc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873426012 RONSXSFJLYOTSV-UHFFFAOYSA-N 519.045 4.580 10 10 KJCE COc1ccc(-c2csc(CCNc3ncnc4c3cc(C(=O)N3CCN(c5ccc(OC)cc5)CC3)n4C)n2)cc1 1875198072 SJXJCWBUCYHKOV-UHFFFAOYSA-N 583.718 4.726 10 10 KJCE CCOc1ccc(-c2cc(C=C3SC(=S)N(CCOC)C3=O)n(-c3ccccc3)n2)cc1[N+](=O)[O-] 2296711195 ALIHCGRGDSJLSR-UHFFFAOYSA-N 510.597 4.694 10 10 KJCE CCOc1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)c2C)cc1 2313561206 ZAORUHOYGHQYEE-UHFFFAOYSA-N 508.372 4.922 10 10 KJCE Cc1ccc(CN2C(=O)C(=Cc3c(NC[C@@H](O)c4ccccc4)nc4c(C)cccn4c3=O)SC2=S)cc1 2314476852 WYICBXAGRGCFAI-HSZRJFAPSA-N 542.686 4.858 10 10 KJCE Cc1ccccc1OCCCn1cc(/C=C2/C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c2ccccc21 101377803 ZCYLZWBYDPBKOI-VFCFBJKWSA-N 571.699 4.957 10 10 KJCE CCCn1c(N2CCN(c3ccccc3)CC2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O 110526789 VHKUJJJVHRVVQW-ODHYRZOZSA-N 535.739 4.765 10 10 KJCE CSCC[C@]1(C(=O)O)N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]2C(=O)N(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)C(=O)[C@@H]21 247528657 OACOJEOYHHRWGS-JKWBJBSGSA-N 665.680 4.652 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 252671225 NAZDCVIGBXHNIV-NDEPHWFRSA-N 636.568 4.986 10 10 KJCE 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CC(C)COc1ccc(C(=O)NC(C)(C)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867733005 AZEUOUJGXXQMCH-HHHXNRCGSA-N 508.707 4.639 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](Cc3ccc(F)cc3)NC(=O)[C@@H](Cc3ccncc3)c3ccccc3)CC2)cc1 1868672460 AHTPIBYKYHWKPZ-ACHIHNKUSA-N 566.677 4.632 10 10 KJCE COc1ccc(N2CCN(c3nc(=NC(=O)c4ccc(Cl)cc4)n(-c4cccc(Cl)c4)[nH]3)CC2)cc1 1869970888 RSMLLCAQUVGTHM-UHFFFAOYSA-N 523.424 4.584 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)c(OC)c1 1873423095 DVXZULSDGKRESP-UHFFFAOYSA-N 525.609 4.590 10 10 KJCE CCCCOCCCNc1ncnc2c1cc(C(=O)N1CCN(c3ccc(OC)cc3)CC1)n2CC(C)C 1875207885 KVAZGFVLCUKKIP-UHFFFAOYSA-N 522.694 4.677 10 10 KJCE COc1cccc(OCCCn2cc(C=C3C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)c1 2296020912 AJDOAYXMFRBXPH-UHFFFAOYSA-N 513.525 4.925 10 10 KJCE O=C1C(=CNCCCN2CCOCC2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1 2297736747 ZITWASAHUMFYAQ-UHFFFAOYSA-N 528.103 4.640 10 10 KJCE COc1cc(C=CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(Br)c1OC 2325387901 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COc1ccc(CCN2C(=O)/C(=C\c3c(N4CCN(Cc5ccccc5)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1OC 150451660 AOKJNUNLVORWPY-XHLNEMQHSA-N 641.819 4.786 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 252670208 JWMZSOYGMUPJRS-LJAQVGFWSA-N 571.699 4.531 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NC1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1864016766 WVVYDAQKLKZGRN-HSZRJFAPSA-N 502.615 4.761 10 10 KJCE CCCc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865029438 NCLWPPYTUCJSRZ-HHHXNRCGSA-N 536.632 4.969 10 10 KJCE C[C@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@H]1c1ccc(O)c(O)c1 1865034311 TUTDSNDANYGOPY-VBKZILBWSA-N 546.521 4.596 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1C[C@@H](C)C[C@H](C)C1)=C(N)O2 1865035680 YZQBAOAXUSPJJX-UAVUOLJFSA-N 537.060 4.758 10 10 KJCE CCCc1nn(CC(C)C)c2c1[C@H](c1cccs1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865325099 PMMAJWUOGFTJHM-VWLOTQADSA-N 535.714 4.605 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)C[C@H](c3ccc(Cl)cc3)C(C)C)C(C)C)CC2)cc1 1868705859 NTRSVESHAKMSIG-BDYUSTAISA-N 500.083 4.968 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)/C=C\c4ccc(Cl)cc4)n(-c4ccccc4)n3)CC2)cc1 1869970399 QASIBVGYIJFPBB-SXGWCWSVSA-N 515.017 4.908 10 10 KJCE CC[C@H](C)N1C(=O)C(Nc2ccc(N3CCN(C)CC3)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873423202 AAIDFRMFTMBKEE-NRFANRHFSA-N 511.670 4.836 10 10 KJCE O=C(CN1C(=O)C(=C2SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 2038109061 JZUMOIQZLAHFBX-UHFFFAOYSA-N 503.580 4.583 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 2294134279 ZJXDMWKQCKSLKY-UHFFFAOYSA-N 507.886 4.502 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(NC[C@@H]3CCCO3)nc12 2296696370 NVDODKFVVMUOFE-HKUYNNGSSA-N 506.653 4.556 10 10 KJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1cccc(OC)c1 2297347728 XJRDBBQYSGZPPU-UHFFFAOYSA-N 526.343 4.526 10 10 KJCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 33807202 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CCCc1nn(CC(C)C)c2c1[C@H](c1ccccc1C)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865658080 DKMORWHTUCKMIR-MHZLTWQESA-N 543.712 4.852 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)N2CCCCC2)cc1 1865877083 UCTIKSNBRGXHRN-GDLZYMKVSA-N 524.665 4.548 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)N2CCCCC2)cc1 1866551214 SNTPNDLBKXBADN-MUUNZHRXSA-N 501.675 4.541 10 10 KJCE COc1ccccc1-c1nc(CC(=O)NC(C)(C)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c(C)o1 1866671493 KIAWCGRQGDUMBV-UHFFFAOYSA-N 537.572 4.510 10 10 KJCE CCOc1cc(C(=O)N[C@@H](CC)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc(OCC)c1OCC 1867401554 OEEKGWNHLDHOLH-RRPNLBNLSA-N 568.759 4.801 10 10 KJCE CN(C)c1ccc(C(=O)N[C@H](C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867888822 SKOCPFZJXGBZRR-IHLOFXLRSA-N 527.713 4.633 10 10 KJCE CCCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(Br)cc2)n1)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868770296 UXPKXLLGEIQIJZ-RUZDIDTESA-N 568.516 4.589 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3S(C)(=O)=O)C(=O)N(Cc3ccccc3)C2=O)cc1 1873418457 JMSUJWITTMWKCN-UHFFFAOYSA-N 525.630 4.890 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)ccc3OCCOc3cccc(C)c3)C2=O)cc1 2293582591 CVZQJVBFRHEPIW-UHFFFAOYSA-N 506.942 4.781 10 10 KJCE CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(C4CCCCC4)C3=O)c3ccccc32)cc1 2296539439 XVUISTFKHOAFOY-UHFFFAOYSA-N 549.674 4.753 10 10 KJCE Cc1ccc(Cl)cc1-n1c(C)cc(C=C2C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)c1C 2296598292 XGZIKWCOIIXNCP-UHFFFAOYSA-N 509.035 4.688 10 10 KJCE O=C1C(=Cc2c(N3CCC(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296696352 HQBVZZODZFMGOK-JOCHJYFZSA-N 546.718 4.534 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)ccc1OCc1cccc(C(=O)O)c1 2313562211 JGEUCCKBMIBMDC-UHFFFAOYSA-N 541.343 4.946 10 10 KJCE Cc1ccc(CNC(=O)[C@]2(COCc3ccccc3)CCN(C(=O)OC(C)(C)C)C2)c(O)c1Br 2380742908 WYINKBJYUXPTCX-AREMUKBSSA-N 533.463 4.923 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)[C@@H](CSCc3ccccc3Cl)N4)CC2)cc1 2940206 SXERAIJQGVYXEV-AREMUKBSSA-N 537.085 4.977 10 10 KJCE CCOC(=O)c1c(NC(=O)COc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2OC)sc2c1CCCC2 211908469 IZIGGBHHEMAAGI-XDHOZWIPSA-N 546.692 4.661 10 10 KJCE CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(N(C)C)c(Br)c3)c(=O)n2[C@@H]1c1cccc(OC)c1OC 252670262 KAQWFRCDFXHVOB-MUUNZHRXSA-N 648.579 4.781 10 10 KJCE O=C(N[C@@H](CSCc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(C2CC2)[nH]n1 1867147816 LOJYODNREMJWOO-SANMLTNESA-N 550.640 4.733 10 10 KJCE CCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccc(F)cc1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867728712 WJYFNMXREJDRRZ-IOWSJCHKSA-N 613.734 4.934 10 10 KJCE Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867893716 UAXWCSGJFBOKFW-JSOSNVBQSA-N 542.724 4.760 10 10 KJCE CCOc1ccc([C@@H](CC(=O)NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccc(Cl)cc2)cc1 1869020720 NAAZEAZECKRSHD-NDEPHWFRSA-N 536.072 4.734 10 10 KJCE Cc1cccc(NC(=O)COc2cn(C[C@@H](C)O)c(CNc3ccc(Nc4ccccc4)cc3)cc2=O)c1 1871173823 SZPVTFRJZLXZNQ-JOCHJYFZSA-N 512.610 4.911 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC[C@@H]3CCCO3)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873166856 ZBJILOJWZQPCAK-ZOGOTRPCSA-N 547.696 4.701 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccc(Cl)cc3[N+](=O)[O-])C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873425955 KWCOHCBYTNFCDX-UHFFFAOYSA-N 530.972 4.814 10 10 KJCE CCCn1c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc2c(NCCc3ccc(F)cc3)ncnc21 1875204412 MYCYIJQRRYBXEZ-UHFFFAOYSA-N 516.621 4.606 10 10 KJCE O=C(O)CCCCCN1C(=O)C(=Cc2c(Oc3ccc(Cl)cc3)nc3ccccn3c2=O)SC1=S 2296732214 JGGGEDYIGAKAIF-UHFFFAOYSA-N 530.027 4.986 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4CCc5ccccc5C4)nc4ccccn4c3=O)SC2=S)cc1 2296848551 DLMHERIPCMJJOF-UHFFFAOYSA-N 540.670 4.667 10 10 KJCE CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(C)C)c2)o1 2297315775 FSGWNLBOKPAYQY-UHFFFAOYSA-N 542.013 4.866 10 10 KJCE CCOc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C(=O)O)c(Cl)c4)c3C)C(=O)NC2=S)c1 2313562131 GQMGQWZIFNHEGG-UHFFFAOYSA-N 523.998 4.676 10 10 KJCE CCOc1cc(C=C2SC(=S)N(NC(=O)c3ccccc3C)C2=O)cc(Br)c1OCC(=O)N(CC)CC 2314769114 TWDXCRYHIPCZBS-UHFFFAOYSA-N 606.564 4.950 10 10 KJCE CCOc1ccc(C=CC(=O)N2CCC(C(=O)Nc3ccc4c(c3)C(=O)c3ccccc3C4=O)CC2)cc1 2322071921 GAKQAZVECZRKNJ-UHFFFAOYSA-N 508.574 4.751 10 10 KJCE CCCCn1c(N2CCN(CC)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 33812669 UVDSNJSFVUVNHD-QJOMJCCJSA-N 527.760 4.504 10 10 KJCE CCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 39989725 GWFGSPIJXJMRAK-ICODJCHTSA-N 522.696 4.695 10 10 KJCE CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCCOCCOc1ccc(C)cc1 100229354 LOZWTNBSRDKXIM-LGUFXXKBSA-N 544.604 4.843 10 10 KJCE Cc1c(N2C(=O)/C(=C/c3c(Oc4ccc(F)cc4)nc4ccccn4c3=O)SC2=S)c(=O)n(-c2ccccc2)n1C 213154453 PZDQWXMBFCSYQP-JWGURIENSA-N 585.642 4.830 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCC1=CCCCC1)=C(N)O2 1864011567 VJSMANSIYVQKEK-VWLOTQADSA-N 514.626 4.937 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC1)=C(N)O2 1865030068 BSRKMHULKYURQI-RUZDIDTESA-N 510.594 4.706 10 10 KJCE CCCCOc1ccc(C(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1OCC 1867674656 IITFOWLYNNNOFF-HOFKKMOUSA-N 538.733 4.792 10 10 KJCE CCOC(=O)C1CCN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3Cl)n2)CC1 1867977669 XPHIDEXSVKFKTO-UHFFFAOYSA-N 536.076 4.912 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCCCN(C)C)C(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 1873167424 GUFUMKZBRUUZIT-UHFFFAOYSA-N 505.062 4.959 10 10 KJCE COc1ccc(N2CCN(c3ncnc4c3ccc(=O)n4-c3ccc(Cc4ccccc4)cc3)CC2)cc1 1873535272 RELRQNJOXBEWKT-UHFFFAOYSA-N 503.606 4.707 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCCOc4ccccc4OC)c(OC)c3)C2=O)cc1 2293100690 RROVPVMVVVTKNV-UHFFFAOYSA-N 597.418 4.599 10 10 KJCE O=C1C(=Cc2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC(=S)N1C[C@H]1CCCO1 2296848626 MNGHZGJAVOBTFV-MRXNPFEDSA-N 544.452 4.630 10 10 KJCE CCCOc1c(I)cc(C=C2C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OCC 2297505576 DFAYIPMLRBKMFC-UHFFFAOYSA-N 534.350 4.983 10 10 KJCE O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1cccc(N2C(=O)C(=Cc3ccccc3)SC2=S)c1 2297580252 LXTRPHQECCINGR-QHCPKHFHSA-N 527.627 4.999 10 10 KJCE O=C1NC(=O)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2ccc(I)cc2)o1 2313560740 FGDCCXMZYLJODO-UHFFFAOYSA-N 563.145 4.980 10 10 KJCE CCCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(c2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2314414011 NKKNBVAXOGYRKX-UHFFFAOYSA-N 574.732 4.809 10 10 KJCE Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2C=C2SC(=S)N(CCCCCC(=O)O)C2=O)c1 2314507899 MGXJXTTZSXDAGC-UHFFFAOYSA-N 523.636 4.950 10 10 KJCE COCCCOc1cc(C[C@@H](C[C@@H](N=[N+]=[N-])[C@@H](O)C[C@H](C(=O)NCC(C)(C)C(N)=O)C(C)C)C(C)C)ccc1OC 575625390 NFXACOCBDXIPEY-JBXUNAHCSA-N 577.767 4.645 10 10 KJCE in-vitro O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccccc1F 1083949336 RFSWOWABZJGJGD-UNOMPAQXSA-N 513.294 4.973 10 10 KJCE C[C@@H]1CCCC[C@@H]1NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864015554 BYHRMFPSXOPGNO-DHTSOJEISA-N 537.620 4.735 10 10 KJCE CCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H]1CCCC[C@H]1C)=C(N)O2 1864017293 JHICTYAHEBIPGS-XLHILCRZSA-N 523.033 4.889 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864018940 FAGDSKYZILTTEC-RUZDIDTESA-N 545.039 4.943 10 10 KJCE CCn1nc(C)c2c1OC(N)=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)[C@@H]2c1ccc(O)c(O)c1 1865027154 VFRVNGJRHUBJEA-AREMUKBSSA-N 510.594 4.546 10 10 KJCE CCCc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@H]1C)=C(N)O2 1865029321 KMEIKEIBAZQMPC-MWTRTKDXSA-N 523.033 4.985 10 10 KJCE C[C@@H](C(=O)N[C@@H](c1ccc(N(C)C)cc1)c1nccn1C)N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 1865885724 MHNWEVIOMQAMTP-YBTHPKLGSA-N 569.276 4.990 10 10 KJCE COc1ccc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c2ccccc2)cc1Cl 1867137193 ABYSEXPJKUNFIQ-SQHAQQRYSA-N 583.040 4.762 10 10 KJCE COc1ccc([C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCN(c3ccc(OC)cc3)CC2)C(C)C)cc1 1868858383 XDCKUHXYQVLGNX-IHLOFXLRSA-N 547.671 4.659 10 10 KJCE CCCCc1ccc(Nc2nc(=NCCCOCC)nc(N3CCN(c4ccc(OC)cc4)CC3)[nH]2)cc1 1871499548 YVYDDGZGEYJFHC-UHFFFAOYSA-N 519.694 4.553 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3cccc(C(F)(F)F)c3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873162865 OZKRQORSCLJTBW-UHFFFAOYSA-N 566.624 4.705 10 10 KJCE COC(=O)c1cccc(NC(=O)CCn2c3c(c4ccccc42)CCN2C(=O)c4ccccc4N(C)[C@@H]32)c1 1873922382 ZBEJPVOUTIEXTQ-MUUNZHRXSA-N 508.578 4.604 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc4c(c3)N(C)C(=O)C(=Cc3ccccc3F)S4)CC2)cc1 2297343212 GVXNUGKFOGCELI-UHFFFAOYSA-N 503.599 4.906 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc(I)c1OCC 2297624345 VZHPHXMRMMPANV-UHFFFAOYSA-N 556.809 4.573 10 10 KJCE CCOC(=O)c1cc(-c2ccc(C=C3C(=O)NC(=O)N(c4ccc(OCC)cc4)C3=O)o2)ccc1Cl 2313549038 LRQRJMSXXBIQKV-UHFFFAOYSA-N 508.914 4.842 10 10 KJCE COc1c(Br)cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1Br 2313559630 IEPKNUAASMGWSA-UHFFFAOYSA-N 559.008 4.649 10 10 KJCE COc1ccc(CN2C(=O)C(=Cc3c(N4C[C@@H](C)C[C@@H](C)C4)nc4ccccn4c3=O)SC2=S)cc1 2314413956 MDGWLMXIAYBFIE-HDICACEKSA-N 520.680 4.587 10 10 KJCE COc1ccc(C=C2SC(=S)N(CC(=O)Nc3nnc(SCc4ccc(F)cc4)s3)C2=O)cc1 2314578359 LQVBDNXICQUHTE-UHFFFAOYSA-N 532.669 4.818 10 10 KJCE CN(C)c1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2C(=O)C(=O)c3ccccc32)cc1 72413689 FMLUHKAQAGKQIG-NDEPHWFRSA-N 502.574 4.813 10 10 KJCE CCN1C(=O)/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101377675 WLRGHPOTZYPNGS-YZSQISJMSA-N 545.636 4.757 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nonc3-c3ccc(OC)cc3C)C2=O)cc1 101911530 XFPLCJCETVKQFL-ZHZULCJRSA-N 524.624 4.682 10 10 KJCE COc1ccc(CCNC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CCN(c4ccc(OC)cc4)C[C@H]23)cc1 102901768 HPGFRNOIKTZNOW-XTEPFMGCSA-N 539.598 4.949 10 10 KJCE COC(=O)Cc1ccc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@@H]2c2ccc(N(C)C)cc2)cc1 526626398 YPKZTADSBQSHET-SANMLTNESA-N 502.567 4.543 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)c(=O)n2[C@@H]1c1ccc(SC)cc1 1084485437 WKYHUBDREWENAI-HHHXNRCGSA-N 588.711 4.836 10 10 KJCE CCc1nn(Cc2cccc(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865035386 SCHBCNRMHZAJSC-RUZDIDTESA-N 545.039 4.912 10 10 KJCE CCc1sc(NC(=O)/C=C/c2cnc(OC)nc2)c(C(=O)OC)c1-c1ccc(Br)cc1 1866150277 LJAQMVLUQSQIFZ-BJMVGYQFSA-N 502.390 4.977 10 10 KJCE CC[C@H](NC(=O)[C@H](Cc1ccccn1)c1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866695417 IVUUFFBKNZOPNX-FTJBHMTQSA-N 517.585 4.717 10 10 KJCE CSCC[C@@H](NC(=O)c1nc(C(F)(F)F)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867289240 UHXKQENXYGEAHN-LJQANCHMSA-N 566.561 4.619 10 10 KJCE C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867586154 DQWDTJGRHBJCQD-ONOMSOESSA-N 602.135 4.668 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CSCc3ccccc3)NC(=O)CCCC(=O)c3cccs3)CC2)cc1 1868733598 OVMKIYGSDPXGDW-AREMUKBSSA-N 565.761 4.877 10 10 KJCE CCN(C(=O)Cn1cc(C=C2SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21)c1ccccc1 2326945301 OAIWAZKHTYQJAL-UHFFFAOYSA-N 507.637 4.760 10 10 KJCE CCn1c(N2CCN(Cc3ccccc3)CC2)c(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)c(C)c(C#N)c1=O 110521715 GPSTUEWOWJBMJD-NTFVMDSBSA-N 613.765 4.501 10 10 KJCE O=C(O)CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 110559078 ZCMFQOLZDGMSPJ-HKOYGPOVSA-N 596.756 4.780 10 10 KJCE Nc1cc(OCCCc2ccccc2)c(N)c2c1C(=O)c1c(N)c(OCCCc3ccccc3)cc(N)c1C2=O 206682434 QAFRGTJCJRIGSU-UHFFFAOYSA-N 536.632 4.814 10 10 KJCE Cc1ccccc1CN(c1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1)S(C)(=O)=O 1860768951 MDYQHAZQCDWYES-UHFFFAOYSA-N 524.598 4.989 10 10 KJCE Cc1cccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)c1 1864010912 BUTDTJCVORZYNN-RUZDIDTESA-N 531.012 4.624 10 10 KJCE CCc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccccc1Cl)=C(N)O2 1864018744 BRWLXKWUZYXLJC-DEOSSOPVSA-N 531.012 4.569 10 10 KJCE CCCc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(CC)CC)=C(N)O2 1865031153 ZVYNZEFQPRBCGS-VWLOTQADSA-N 512.610 4.952 10 10 KJCE COc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)c2ccccc2)cc1 1867311498 MLMCMLYURRCSFT-URLMMPGGSA-N 514.670 4.576 10 10 KJCE CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867371656 AKAHHDJOLNJMKB-DQEYMECFSA-N 517.139 4.601 10 10 KJCE CSCC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867526698 GOPCDILAVCYYQB-IOWSJCHKSA-N 633.859 4.876 10 10 KJCE CCC[C@@H](NC(=O)c1cc(Cl)ccc1OC)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867607361 YKJVJSXWABKBRF-JWQCQUIFSA-N 515.098 4.657 10 10 KJCE COCCN1[C@H](C)CN(c2cc(Nc3cccc4c3C(=O)c3ccccc3C4=O)nc(C(C)(C)C)n2)C[C@H]1C 1868341370 RXPZRWAWQJMAGC-WOJBJXKFSA-N 527.669 4.839 10 10 KJCE COc1ccc(N2CCN(C(=O)C(C)(C)NC(=O)[C@H](CC(C)C)c3cccc(Br)c3)CC2)cc1 1869004374 QNQHOFUJZBZKAT-XMMPIXPASA-N 530.507 4.831 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3cnc[nH]3)C(=O)N(CCc3ccc(Cl)cc3)C2=O)cc1 1873168775 JGHBFFBCRLSDNE-UHFFFAOYSA-N 514.029 4.626 10 10 KJCE Cc1cc(C=C2C(=O)N(C)c3ccc(S(=O)(=O)N4CCOCC4)cc32)c(C)n1-c1ccc2ccccc2c1 2297508809 MGOSEFRKOVOPJY-UHFFFAOYSA-N 527.646 4.785 10 10 KJCE CCN1C(=O)C(=Cc2cc(C)n(-c3ccc(Br)cc3)c2C)c2cc(S(=O)(=O)N3CCOCC3)ccc21 2297509119 ZCAOWPABQIQEQJ-UHFFFAOYSA-N 570.509 4.785 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1cccc([N+](=O)[O-])c1 2313558488 CANSTCJBCJZCNH-UHFFFAOYSA-N 631.354 4.983 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C4CCCCC4)C3=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12 2314399415 YXDJYEBWCMWDMO-UHFFFAOYSA-N 603.770 4.588 10 10 KJCE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4CCOCC4)=NC3=O)c2)C1 2314476727 ULEIMALUOKSISN-VXKWHMMOSA-N 591.759 4.508 10 10 KJCE CC[C@@H]([C@@H](C)O)n1ncn(-c2ccc(N3CCN(c4ccc(OC[C@H]5CO[C@](Cn6cncn6)(c6ccc(F)cc6F)C5)cc4)CC3)cc2)c1=O 60392777 RAGOYPUPXAKGKH-XSGZROFYSA-N 700.791 4.573 10 10 KJCE in-vitro C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(N3CCN(Cc4ccccc4)CC3)nc3ccccn3c2=O)SC1=S 100884326 IOMZKWXIPQNREB-PHRANEHHSA-N 567.740 4.979 10 10 KJCE 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Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@@H](C)C[C@@H](C)C3)SC2=S)cc1 33812258 CBLLSBUPAZLESV-LASKTDCXSA-N 506.697 4.758 10 10 KJCE COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)CC3)c(C)n2-c2ccccc2F)cc1 103115067 YFWBFNOEMVZERS-UHFFFAOYSA-N 578.622 4.655 10 10 KJCE CC(=O)OC[C@@H]1O[C@H](OCCCCCN(Cc2ccccc2)C(=O)OCc2ccccc2)[C@@H](N=[N+]=[N-])[C@@H](OC(C)=O)[C@@H]1OC(C)=O 575448951 ACOVCGTZUHRDSE-ALQXIODZSA-N 640.690 4.843 10 10 KJCE Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864007437 MULANEAXEFBFEU-MYYSRTQBSA-N 516.985 4.817 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(Cl)c2)[C@@H]1c1ccc(O)c(O)c1 1864015073 IZTHNCLZNJHLOK-XIKOKIGWSA-N 536.938 4.624 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N[C@@H]1CCCC[C@H]1C)[C@@H]2c1ccc(O)c(O)c1 1864017253 ITJZHAYLBULUGL-NYQDVAGCSA-N 532.641 4.769 10 10 KJCE COc1ccc(-c2nn(C)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)N2C[C@@]4(C)C[C@H]2CC(C)(C)C4)=C(N)O3)cc1 1865033467 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10 10 KJCE CCCN(CCC)C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2cccc(F)c2)[C@@H]1c1ccc(O)c(O)c1 1865034192 RFKHIBAMDIPYDU-FQEVSTJZSA-N 548.537 4.844 10 10 KJCE CC[C@@](C)(NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867060690 OQAFOZSKUPCELQ-SSEXGKCCSA-N 538.629 4.837 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)[C@@H](Cc3ccccn3)c3ccccc3)c3ccccc3)CC2)cc1 1868663979 MHCQZZMPMIVHOB-CONSDPRKSA-N 534.660 4.623 10 10 KJCE CCCCCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870685015 VHNGSMHUKJHKQF-UHFFFAOYSA-N 520.630 4.857 10 10 KJCE CCOC(=O)c1c(C(F)(F)F)nn([C@H](c2ccc(OC)cc2O)C2CCC2)c1I 2079859059 ZLXPXIYHISOQIZ-HNNXBMFYSA-N 524.277 4.787 10 10 KJCE CCCOC(=O)CCN1C(=O)C(=Cc2cc(Br)c(OCC)c(OCC)c2)SC1=S 2314761841 YIDGSFWJVRFBKB-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O[C@H](CC)C(=O)O 2314936671 ZSOQMZBPKIAHLX-GOSISDBHSA-N 531.652 4.788 10 10 KJCE CCOc1cc(/C=C2\C(=N)N3N=C(CC)SC3=NC2=O)ccc1OCCOc1ccc(NC(C)=O)cc1 12470982 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MGRBQMIFGFELBT-HZHRSRAPSA-N 507.593 4.804 10 10 KJCE CC1=NN(c2cc(C)c(C)cc2Br)C(=O)/C1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 35376062 SBRXBWIRNSEWIM-XDHOZWIPSA-N 514.401 4.779 10 10 KJCE CCN(CC)c1ccc(CN(CC2CC2)C(=O)C(C)C)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 96290637 KHMRCIVLFJMFDX-UHFFFAOYSA-N 515.676 4.654 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc12 252669358 HGVIEHZLXAKRFM-LJAQVGFWSA-N 555.700 4.806 10 10 KJCE CCCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)c(C)cc3Br)C2=O)cc1OC 1084502594 KUVPBAWCIDKWKE-SFQUDFHCSA-N 501.377 4.920 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1cccs1)=C(N)O2 1864013503 XKKGLBPSJPVNIB-VWLOTQADSA-N 544.677 4.984 10 10 KJCE O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccc(Cl)cc2)n([C@H]2CCS(=O)(=O)C2)n1 1868165513 MZYYEJOCKDFNLH-SFHVURJKSA-N 546.004 4.591 10 10 KJCE CC[C@H](NC(=O)Cc1nc(-c2ccc(C(C)C)cc2)oc1C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868992594 VXXJMBQZBUYNAP-SANMLTNESA-N 518.658 4.568 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCCc3ccc(N4CCCC4)cc32)n1 1869112146 HKYHBYPHKBANGB-UHFFFAOYSA-N 528.701 4.685 10 10 KJCE CCN(CC)CCCN1C(=O)C(Nc2ccc(OC)c([N+](=O)[O-])c2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873424701 JYVJTBSGKLSGGZ-UHFFFAOYSA-N 545.640 4.935 10 10 KJCE COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 2296943336 MGPNWKJYCGNSMG-UHFFFAOYSA-N 534.037 4.751 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1OCc1ccccc1Cl 2297312370 RNYCYGCYJDHHMW-UHFFFAOYSA-N 512.012 4.869 10 10 KJCE COc1cc([C@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@H]3C=CC[C@H]32)ccc1OC(C)=O 14468180 HQDNFRNUVIOIHD-CTVOUCONSA-N 518.635 4.968 10 10 KJCE CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CCN(C)CC2)SC1=S 33812600 LLTAKIPHNOCBAY-AOMYKUFJSA-N 529.776 4.608 10 10 KJCE O=C(O)[C@H](CCCCN1C(=O)/C(=C/c2ccco2)SC1=S)N1C(=O)/C(=C/c2ccco2)SC1=S 101456468 HEIMZAMZRQWTDY-OWSHQELUSA-N 534.662 4.599 10 10 KJCE COc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(OC)cc4)C[C@H]3c3ccc(N(C)C)cc3)=NC2=O)cc1 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536.938 4.957 10 10 KJCE CCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCc1ccccc1)=C(N)O2 1864020404 YGNBADDJLVRDFT-HHHXNRCGSA-N 538.648 4.657 10 10 KJCE C[C@H]1C[C@@H](C)CN(C(=O)C2=C(N)Oc3c(c(-c4ccccc4)nn3-c3ccccn3)[C@H]2c2ccc(O)c(O)c2)C1 1865031909 QYJMWLVVERKAJR-HHJKRLRDSA-N 537.620 4.545 10 10 KJCE CCCn1nc(-c2ccc(OC)cc2)c2c1OC(N)=C(C(=O)N(C)C1CCCCC1)[C@@H]2c1ccc(O)c(O)c1 1865034523 YFMJQQGMHZIRGG-XMMPIXPASA-N 532.641 4.866 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)N2CCCCC2)cc1 1866009362 WMKKYAYWTWTMEI-HHHXNRCGSA-N 514.601 4.649 10 10 KJCE CC(=O)Oc1ccc(C[C@H](NC(=O)CCc2ccccc2F)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1866596357 CVNKOQFXKMSGGY-LJAQVGFWSA-N 578.596 4.825 10 10 KJCE CCC[C@@H](NC(=O)CCCC(=O)c1cccs1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866793779 LGGBCTWAGGMFIU-OAQYLSRUSA-N 502.592 4.800 10 10 KJCE CCC[C@H](NC(=O)c1ccc2nc(C)c(C)nc2c1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867685749 RNMUNJAQAUTUKO-YTMVLYRLSA-N 530.717 4.555 10 10 KJCE 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COc1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 2293452817 PTOCBKRDBAUXEN-UHFFFAOYSA-N 552.337 4.611 10 10 KJCE CN1C(=O)C(=Cc2ccc(OCC(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2)SC1=S 2314488259 KXVYIIJOJREVTL-UHFFFAOYSA-N 536.704 4.550 10 10 KJCE CCCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2533360 NRXNHXUZTTZDDH-FMQUCBEESA-N 530.469 4.806 10 10 KJCE CC1=CC(C)(C)N2C(=O)/C(=C3/SC(=S)NC3=O)c3cc(OC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc1c32 101602795 SIDRCHRFYKSUCV-SMHSOALZSA-N 533.587 4.615 10 10 KJCE CCc1ccc([C@H](C)NC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864009119 ZPAJYZMPDWTLCY-XRHLQHRESA-N 524.621 4.785 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccc(Cl)cc3)[C@H]2c2ccc(O)c(O)c2)cc1 1864011300 GDLAYKNGGXBKQB-RUZDIDTESA-N 531.012 4.624 10 10 KJCE CCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N[C@H](C)c1ccccc1)=C(N)O2 1864018426 KXJIGSJYQBFPOF-NSYGIPOTSA-N 528.584 4.616 10 10 KJCE CCCn1nc(C)c2c1OC(N)=C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)[C@H]2c1cccc2ccccc12 1865130445 GHWVHSZNUKDUOV-NDEPHWFRSA-N 537.664 4.807 10 10 KJCE COc1ccc(N2CCN(C(=O)C3=C(N)Oc4c(c(C)nn4-c4ccc(C)cc4)[C@H]3c3cccc(C)c3)CC2)cc1 1865558468 AKEMDMDTAHAAOY-GDLZYMKVSA-N 549.675 4.850 10 10 KJCE COc1cc(/C=C2\C(=O)N(Cc3c(F)cccc3Cl)N=C2C(F)(F)F)ccc1OCCN1CCOCC1 1865665085 AMSPHFARXBOJLJ-LGMDPLHJSA-N 541.929 4.543 10 10 KJCE COCCCN1[C@H](C)CN(c2cc(N3CCN(c4ccc(OC)cc4)CC3)nc(-c3ccccc3C)n2)C[C@H]1C 1869148912 KFOBCIYOAJLRSI-CLJLJLNGSA-N 544.744 4.723 10 10 KJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1 2293556295 NQGZKFODXWQMOB-UHFFFAOYSA-N 511.317 4.937 10 10 KJCE CCCOc1cccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 2296851529 QNXITQOEXBTZIK-NRFANRHFSA-N 539.704 4.716 10 10 KJCE CCOc1cc(C=C2C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OC(=O)c1ccc(OC)cc1 2297347761 ZSTNFHMNPFDGIC-UHFFFAOYSA-N 526.343 4.526 10 10 KJCE Cc1cc(C(=O)O)ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 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CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)c(=O)n2[C@@H]1c1cccs1 254764635 LYCXBHSHYXMJRH-RUZDIDTESA-N 517.676 4.576 10 10 KJCE COC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)sc(C)c1-c1ccc(Br)cc1 1865943885 YSJSUVWQELRGCR-UHFFFAOYSA-N 563.451 4.591 10 10 KJCE CCC[C@H](NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866584709 WLDFKOHMDNFWPH-VWLOTQADSA-N 553.640 4.964 10 10 KJCE CC[C@@](C)(NC(=O)Cc1csc(COc2ccccc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866590510 AGLKQGRSGLAJJJ-WJOKGBTCSA-N 553.640 4.964 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)[C@H](C)C2CCCC2)C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 1867017712 QDGRLNAECOVTKA-WHLCRQNOSA-N 552.627 4.880 10 10 KJCE CC(=O)Oc1ccc(C[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 1867417279 RRXQMAPGUZPLBV-VSJLXWSYSA-N 681.834 4.614 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](CCSC)NC(=O)C[C@H](c3ccc(C)cc3)C(C)C)CC2)cc1 1868691695 OLHBXDKNSXMYBU-RRPNLBNLSA-N 511.732 4.720 10 10 KJCE 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RAFYGFOQVPWSIF-GZTJUZNOSA-N 544.383 4.871 10 10 KJCE CCc1sc(NC(=O)C(=O)Nc2ncccc2C)c(C(=O)OC)c1-c1ccc(Br)cc1 1860750033 MFZKNNUMTIRNQG-UHFFFAOYSA-N 502.390 4.807 10 10 KJCE CCCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864009555 AORWYOMDLDSANQ-QHCPKHFHSA-N 541.048 4.515 10 10 KJCE CCCc1nn(Cc2cc(C)ccc2C)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NCCCOC(C)C)=C(N)O2 1864012500 BCNKISQYVBCTLH-AREMUKBSSA-N 548.684 4.538 10 10 KJCE CCCc1nn(Cc2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(CCC)CCC)=C(N)O2 1865031058 YCZJSCUXESASPS-RUZDIDTESA-N 518.658 4.947 10 10 KJCE CCN(CC)C(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1865031448 HDYZUFAOPCRJEV-DEOSSOPVSA-N 528.584 4.712 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3c[nH]c4ccccc34)C(=O)N(C[C@H]3CCCO3)C2=O)cc1 1873162519 ZGOBPBSVGMMDNG-RUZDIDTESA-N 508.622 4.667 10 10 KJCE CCCCC[C@H](CC)N1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873164479 DFAIPBURWAJNQP-VWLOTQADSA-N 562.736 4.970 10 10 KJCE CCc1ccccc1OCC(=O)Nc1ccc(C(=O)CCN2CCN(c3ccc(OC)cc3)CC2)cc1 1874754985 RCYSOLFQKVEPHR-UHFFFAOYSA-N 501.627 4.670 10 10 KJCE COC(=O)C1=C(C)N(C2CCCCC2)C(=O)C1=Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)o1 2293473724 STYKDABJVIZJDJ-UHFFFAOYSA-N 560.434 4.847 10 10 KJCE Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1 2294229375 NVFJBJBGMBUZOC-UHFFFAOYSA-N 558.399 4.629 10 10 KJCE CCOc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1ccccc1OC 2295914195 LUKKHDBCGRONCB-UHFFFAOYSA-N 534.516 4.733 10 10 KJCE CCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O 2296001948 JYSQKBAVLGIUCN-UHFFFAOYSA-N 538.695 4.676 10 10 KJCE O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1 2313560929 LXBOJJINPNUISA-UHFFFAOYSA-N 522.311 4.603 10 10 KJCE CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3nn(-c4ccccc4)cc3C=C3SC(N4C[C@H](C)O[C@H](C)C4)=NC3=O)c2)CC1 2314476417 ODHUZXJVCUOTCV-ZRZAMGCNSA-N 663.822 4.583 10 10 KJCE CCOc1cc(C=C2SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O[C@@H](CC)C(=O)O 2314933665 CFCZANKVKYEALC-IBGZPJMESA-N 553.662 4.531 10 10 KJCE CCCOc1ccc([C@H](CC(=O)O)N2C(=O)C(=Cc3cccc(OC)c3OC)SC2=S)cc1OC 2323679986 VMBDEGXETZVVTJ-KRWDZBQOSA-N 517.625 4.918 10 10 KJCE CCOc1cc(C=C2C(=O)N(Cc3ccccc3F)N=C2C(F)(F)F)ccc1OCC(=O)N(CC)CC 2332139788 SNUXMZBBEYIRFU-UHFFFAOYSA-N 521.511 4.816 10 10 KJCE CCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O 39990258 FNMCHOQPJOXJED-DJQLGGTQSA-N 514.717 4.586 10 10 KJCE COc1ccc(N2CCN(C(=O)c3ccc(N4C[C@@H]5C[C@H](C4)Cn4c5cccc4=O)c(NC(=O)c4ccc(F)cc4)c3)CC2)cc1 59524140 RTKYBNUDNICQEN-SQHAQQRYSA-N 621.713 4.834 10 10 KJCE CN(C)c1ccc(CN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 100915219 ZIDCDOIYNJWISM-CCTSKPPLSA-N 540.689 4.834 10 10 KJCE CCc1cccc(CC)c1N1C(=O)[C@@H]2[C@H](c3cc(Br)ccc3O)N[C@@](C(=O)O)(c3ccccc3)[C@@H]2C1=O 252265735 OGEMJTKCRMYBCL-UITIVDIESA-N 563.448 4.710 10 10 KJCE COC(=O)c1cccc(N2C(=O)C(O)=C(c3ccc(OC)c(Br)c3)[C@H]2c2ccc(O)c(O)c2)c1 526465814 HAISFKOUANHAHI-JOCHJYFZSA-N 526.339 4.713 10 10 KJCE CCc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCC[C@@H]1C)=C(N)O2 1865032729 JJDROBBOWPXGJK-NYHFZMIOSA-N 509.006 4.595 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@@H](NC(=O)CC(c3ccc(F)cc3)c3ccc(F)cc3)C(C)C)CC2)cc1 1868713779 UUQMPVVIWVZLMD-PMERELPUSA-N 535.635 4.985 10 10 KJCE CCCCOCCCN=c1nc(Nc2ccc(C)c(C)c2)[nH]c(N2CCN(c3ccc(OC)cc3)CC2)n1 1871527100 WGFCSVXIOMCVOH-UHFFFAOYSA-N 519.694 4.608 10 10 KJCE COc1ccc(OC)c(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCOC(C)C)C2=O)c1 1873420470 MPMJSIWCPKUIAJ-UHFFFAOYSA-N 503.599 4.728 10 10 KJCE COC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCOC(C)C)C1=O 1873421358 TUGXHQQJDJJPGA-UHFFFAOYSA-N 515.610 4.888 10 10 KJCE Cc1ccc2nc(Oc3ccccc3)c(C=C3SC(=S)N(c4c(C)n(C)n(-c5ccccc5)c4=O)C3=O)c(=O)n2c1 2296543497 IFVSKWYVCGVMHX-UHFFFAOYSA-N 581.679 4.999 10 10 KJCE Cc1cccn2c(=O)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3CCCCCC3)nc12 33473040 JYODSFFUDYRGSV-QNGOZBTKSA-N 508.644 4.924 10 10 KJCE CCN(CC)c1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)[C@H]2CCS(=O)(=O)C2)cc1 54421802 QBUJNCWHXGMDJR-OFNKIYASSA-N 507.096 4.786 10 10 KJCE Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12 100886107 YEZGMABWSANBLD-FKDRWTFESA-N 548.690 4.615 10 10 KJCE COc1cc(N2C(=O)C(O)=C(c3cccc(OC)c3OC)[C@H]2c2ccc(O)c(O)c2)c(OC)cc1Cl 526142542 RVDSHUVAJPRQJZ-HSZRJFAPSA-N 513.930 4.843 10 10 KJCE CC(C)N1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)SC1=S 1554268765 GCPLXOGZJFIPND-VMTUJZNWSA-N 582.773 4.947 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCCN2C(=O)/C(=C\c3ccccc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 1615296188 DZFDXOFPFMZMRH-PVCMLMRFSA-N 558.747 4.600 10 10 KJCE CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCCC2)sc(C)c1-c1ccc(F)cc1 1860758944 OJTVIONYLJNYMX-QFIPXVFZSA-N 523.630 4.931 10 10 KJCE CCCc1nn(Cc2cccc(F)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)NCc1ccc(C)cc1)=C(N)O2 1864013159 RBKNGXKKJLBQDS-SANMLTNESA-N 542.611 4.754 10 10 KJCE CCCn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)NCc1ccccc1F)[C@@H]2c1ccc(O)c(O)c1 1864016560 SJYRRSDYDZVGBY-HSZRJFAPSA-N 514.557 4.521 10 10 KJCE COc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2c2ccccc2)ccc1OCCN1CCOCC1 1865665728 ISUFDODKBLAXBR-BWAHOGKJSA-N 518.013 4.894 10 10 KJCE CCC[C@@H](NC(=O)CCc1csc(-c2ccccn2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867054794 BBYNJIDIDHNUAT-HSZRJFAPSA-N 538.629 4.837 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](C)NC(=O)C[C@@H](c3ccccc3)c3ccc(OC)c(Cl)c3)CC2)cc1 1868963251 UWGHZZIHYHCKLN-LVXARBLLSA-N 536.072 4.733 10 10 KJCE COCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCc3cc(OC)c(OC)cc3[C@H]2C(C)C)n1 1869107863 RBKWTDYKNAZZGQ-JGCGQSQUSA-N 561.727 4.778 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)c4cccnc4Cl)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970744 PAQIHACSMYUJJN-UHFFFAOYSA-N 524.412 4.557 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NC3CCN(C)CC3)C(=O)N(CC3CCC(C(=O)OC(C)C)CC3)C2=O)cc1 1873170900 VYRQDZMSYPNIOA-UHFFFAOYSA-N 560.739 4.616 10 10 KJCE CC(=O)Nc1cccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)c1 1873418545 NQINJPXPFVMDRL-UHFFFAOYSA-N 505.578 4.840 10 10 KJCE CCCCOC(=O)c1ccccc1NC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCOC)C1=O 1873420181 IOSPEICCCNXTQD-UHFFFAOYSA-N 515.610 4.889 10 10 KJCE O=C1NC(=O)N(c2ccccc2)C(=O)C1=Cc1cc(I)c(OCc2ccc(C(=O)O)cc2)c(I)c1 2294093748 LKHGRLYTSRKTJS-UHFFFAOYSA-N 694.219 4.839 10 10 KJCE Cc1ccc(NC(=O)CN2C(=O)C(=C3SC(=S)N(CCc4ccccc4)C3=O)c3ccccc32)cc1 2296538379 LIQLLQFZHYAGEJ-UHFFFAOYSA-N 513.644 4.794 10 10 KJCE Cc1ccc2nc(NCCc3ccccc3)c(C=C3SC(=S)N(Cc4ccco4)C3=O)c(=O)n2c1 2296698821 XVCDPVFMQVYUEL-UHFFFAOYSA-N 502.621 4.652 10 10 KJCE COc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 2296943071 OSUVMBAUFKYWRF-UHFFFAOYSA-N 504.011 4.743 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12 2297312840 NBLHKKQCHWZDEW-HKUYNNGSSA-N 506.653 4.556 10 10 KJCE COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCc4ccccc4)c(OC)c3)C2=O)cc1 2313548958 KCPJQMMWCAISAG-UHFFFAOYSA-N 537.366 4.712 10 10 KJCE CCCC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 2313681549 HQQZAXPWTDSSGR-UHFFFAOYSA-N 508.579 4.614 10 10 KJCE COc1cc(C=C2SC(=S)N(CCC(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)ccc1OC1CCCCC1 2314489120 OCPYSFRGBQCBGV-HDICACEKSA-N 518.701 4.634 10 10 KJCE CCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O 39990143 AFMCDOVCMILZCG-OYVQJDAOSA-N 510.685 4.915 10 10 KJCE Nc1ccc(OCCCOc2c(I)cc(I)cc2I)cc1 154586092 LGLGHNMJLZSJOJ-UHFFFAOYSA-N 620.994 4.931 10 10 KJCE Cc1ccc(C(C)C)c(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 213195745 GMCIGJDSIQEANZ-QLTNSANVSA-N 569.730 4.615 10 10 KJCE COC(=O)c1cc(C(=O)OC)cc(N2C(=O)C(O)=C(c3cccc(C)c3)[C@@H]2c2ccc(N(C)C)cc2)c1 526287854 UWXOTURQRWGEIE-VWLOTQADSA-N 500.551 4.691 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(CCC)nn2Cc2cccc(Cl)c2)[C@H]1c1ccc(O)c(O)c1 1864012952 MUEPXNKWCKQCBD-JOCHJYFZSA-N 511.022 4.559 10 10 KJCE CC(C)Cn1nc(-c2ccccc2)c2c1OC(N)=C(C(=O)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]2c1ccc(O)c(O)c1 1865031499 IKCNGOXYTCMDEV-YDIMBITNSA-N 516.642 4.816 10 10 KJCE COc1ccccc1NCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866890147 JUOFMJRTPVYAGY-MHZLTWQESA-N 547.611 4.639 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)N2CCCCC2)cc1 1867746532 FSFAYQDSJPNAPR-KKLWWLSJSA-N 696.314 4.971 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN[C@@H](c5cn(C)c6ccccc56)C4=O)nc(-c4cccc(OC)c4)n3)CC2)cc1 1869320078 UBJJEQJJLSQRCE-XIFFEERXSA-N 603.727 4.657 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCCc3ccc(Cl)cc3)C(=O)N(CCc3cnc[nH]3)C2=O)cc1 1873162492 YDMKAXBLALFPCW-UHFFFAOYSA-N 514.029 4.626 10 10 KJCE COc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(Cc3cccnc3)C2=O)cc1OC 1873419055 MRNMCUFOSBMTQR-UHFFFAOYSA-N 508.578 4.899 10 10 KJCE CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(c4cccc(Br)c4)C3=O)c2C)c1 2296566772 DGEQXIXEBGUHBB-UHFFFAOYSA-N 536.382 4.700 10 10 KJCE O=C(O)CN1C(=O)C(=Cc2ccc(-c3cc(Br)ccc3Br)o2)SC1=S 2297577636 IQWIXMAXPFMGLA-UHFFFAOYSA-N 503.193 4.757 10 10 KJCE Cc1cccn2c(=O)c(C=C3SC(=S)N(CCCCCC(=O)O)C3=O)c(Oc3ccc(F)cc3)nc12 2314506836 GABDTMBXXSXVNA-UHFFFAOYSA-N 527.599 4.781 10 10 KJCE NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(N4CCC(Cc5ccccc5)CC4)=NC3=O)o2)cc1 34107783 QZANIVRJCOVLSR-ULJHMMPZSA-N 507.637 4.519 10 10 KJCE COc1ccc(C2=C(O)C(=O)N(c3ccc(NC(=O)C(C)C)cc3)[C@@H]2c2ccc(O)c(O)c2)c(OC)c1 526568435 SOXFBXKXFLMPSS-RUZDIDTESA-N 504.539 4.767 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4ccc(I)cc4)c3C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 1084485428 UVPNDKWJWJBDKN-NDEPHWFRSA-N 666.585 4.876 10 10 KJCE CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2C)=C(C)N=3)cc1 1772722940 LCHGGJXELUAISP-MUUNZHRXSA-N 540.689 4.930 10 10 KJCE Cc1ccc(CNC(=O)C2=C(N)Oc3c(c(C)nn3Cc3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)cc1 1864012144 SGEIWXXPPRLLCD-RUZDIDTESA-N 531.012 4.624 10 10 KJCE CCCCNC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2F)[C@@H]1c1ccc(O)c(O)c1 1864015912 GLBYBFICKGLBLJ-DEOSSOPVSA-N 528.584 4.760 10 10 KJCE CCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2Cc2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864018694 AHFVCUUKNXFBLF-JOCHJYFZSA-N 511.022 4.559 10 10 KJCE CCc1cccc(CC)c1N1C(=O)c2ccc(C(=O)NCC(=O)NC[C@H](c3ccc(N(C)C)cc3)N3CCCCC3)cc2C1=O 1867572683 ANTJBAWZDVGTIC-WJOKGBTCSA-N 609.771 4.751 10 10 KJCE CC[C@](C)(NC(=O)c1ccc(-n2cccc2)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867760498 LWTDPKJMOVGRQG-IZEXYCQBSA-N 515.702 4.785 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN(c5ccccc5Cl)CC4)nc(-c4cccnc4)n3)CC2)cc1 1868001751 SHPBXHOUHASMMT-UHFFFAOYSA-N 542.087 4.854 10 10 KJCE CCCCN1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296704981 AHHZEWNVNSJJKK-UHFFFAOYSA-N 554.141 4.984 10 10 KJCE CCCC[C@H](CC)CN1C(=O)C(=Cc2c(NC[C@@H]3CCCO3)nc3ccccn3c2=O)SC1=S 2314415133 YQEJLENPICFXCE-ROUUACIJSA-N 500.690 4.703 10 10 KJCE CCOc1cc(C=C2SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O[C@@H](CC)C(=O)O 2314936672 ZSOQMZBPKIAHLX-SFHVURJKSA-N 531.652 4.788 10 10 KJCE COc1ccc(C2=NN(c3ccc(Cl)cc3)C(=O)C2=Cc2ccc(OCCN3CCOCC3)c(OC)c2)cc1 2332105222 JIZHQNPKKFWLLG-UHFFFAOYSA-N 548.039 4.903 10 10 KJCE CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 33519461 NQXZURPYMARSKG-IGCAKMCNSA-N 508.669 4.804 10 10 KJCE O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1nnc(SCc2ccccc2F)s1 39885818 SBUQHLYHXQKJSA-ZSOIEALJSA-N 508.672 4.871 10 10 KJCE COc1c(Br)cc(Br)cc1/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 83318985 ZUKJHVSEVLNOGG-VGOFMYFVSA-N 512.129 4.862 10 10 KJCE Cc1ccc2nc(NC[C@H](O)c3ccccc3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1 101012872 BFKVCQGVSUEPSB-JECJHWOISA-N 542.686 4.592 10 10 KJCE Cc1ccsc1CN(C(=O)CCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)[C@H]1CCS(=O)(=O)C1 101266785 IOBKXBVCFNFBJE-KYYPIKSYSA-N 569.195 4.907 10 10 KJCE COc1ccc([C@H](CNC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)N2CCCCC2)cc1 101344576 XBWJDBRXJLTIOJ-PZLPMSIKSA-N 530.115 4.893 10 10 KJCE COc1ccc(CN2C(=O)/C(=C\c3c(NCCCOC(C)C)nc4c(C)cccn4c3=O)SC2=S)cc1 102862885 ARONQUFOEATYET-PXLXIMEGSA-N 538.695 4.640 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@H](C)C2)c(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)c(C)c(C#N)c1=O 110532206 RKQXATUAVLDYET-VRHLSJRISA-N 580.776 4.895 10 10 KJCE O=C(CN1CCOCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1)Nc1cccc2c1CCCC2 643588188 DLVGOLYERHBWCP-UHFFFAOYSA-N 555.719 4.843 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(Cl)c2)[C@H]3c2ccc(O)c(O)c2)cc1 1864008710 QGXJCDSKMVTZQB-DEOSSOPVSA-N 516.985 4.565 10 10 KJCE CCCc1nn(-c2ccc(Cl)c(Cl)c2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)NC1CC1)=C(N)O2 1864009551 ALLJUMJTCSGWAF-HXUWFJFHSA-N 515.397 4.516 10 10 KJCE COc1ccc(-c2nn(-c3ccccc3Cl)c3c2[C@@H](c2ccc(O)c(O)c2)C(C(=O)NC(C)C)=C(N)O3)cc1 1864021612 DHPUAVTZKVMAKE-HSZRJFAPSA-N 547.011 4.832 10 10 KJCE C[C@@H]1CCCCN1C(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1865033726 HDDXVWYESYICAC-JLTOFOAXSA-N 546.521 4.596 10 10 KJCE CC(C)CN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)NC[C@@H](c3ccc(N(C)C)cc3)N3CCCCC3)c3ccccc3)cc2C1=O 1867419179 COEUMHZAMGHNFN-AJQTZOPKSA-N 609.771 4.819 10 10 KJCE Cc1ccc(C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1C 1867893714 UAXWCSGJFBOKFW-FIRIVFDPSA-N 542.724 4.760 10 10 KJCE CCCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(N2CCO[C@H](c3cccc(Cl)c3)C2)n1 1869226322 GLHZWYXKVSFLSP-VWLOTQADSA-N 508.066 4.996 10 10 KJCE CCN(CC)CCCCN1C(=O)C(NCCOc2ccc(OC)cc2)=C(c2ccc(-n3c(C)ccc3C)cc2)C1=O 1873165602 QVRUNMPCKNBINJ-UHFFFAOYSA-N 558.723 4.973 10 10 KJCE CCOC(=O)Cc1ccc(NC2=C(c3ccc(-n4c(C)ccc4C)cc3)C(=O)N(CCCn3ccnc3)C2=O)cc1 1873423121 FTKRDQSRXDHMIT-UHFFFAOYSA-N 551.647 4.679 10 10 KJCE CCOc1cc(C=C2C(=O)NN(c3ccccc3)C2=O)ccc1OCCOCCOc1ccc(C)c(C)c1 2296604971 PSEGUUDJEYUTFI-UHFFFAOYSA-N 516.594 4.638 10 10 KJCE CC(C)CN1C(=O)C(=C2C(=O)N(CC(=O)Nc3cccc(Br)c3)c3ccccc32)SC1=S 2296712323 YFKDPNNOOGBDPI-UHFFFAOYSA-N 530.469 4.662 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1OCc1ccc(Cl)cc1Cl 2313557268 YRXFWXGUTOOOCA-UHFFFAOYSA-N 541.343 4.976 10 10 KJCE CCc1ccccc1N1C(=O)/C(=C\c2cc(C)n(-c3cc(C(=O)O)cc(C(=O)O)c3)c2C)C(O)=NC1=S 43120457 MMQRSFFSKMGAMF-BKUYFWCQSA-N 517.563 4.725 10 10 KJCE COc1ccc(N2CCN(C(=O)[C@H](CSCc3ccccc3)NC(=O)CC3CCCCC3)CC2)cc1 1862113685 MFYUYVVRHNUKBD-MHZLTWQESA-N 509.716 4.732 10 10 KJCE Cc1ccc(-n2nc(C)c3c2OC(N)=C(C(=O)NCc2cccc(Cl)c2)[C@@H]3c2ccc(O)c(O)c2)cc1 1864008711 QGXJCDSKMVTZQB-XMMPIXPASA-N 516.985 4.565 10 10 KJCE CC[C@@H](C)NC(=O)C1=C(N)Oc2c(c(-c3ccccc3)nn2Cc2ccccc2)[C@H]1c1ccc(O)c(O)c1 1864016436 PEVCYNXDUMBKJU-HOYKHHGWSA-N 510.594 4.619 10 10 KJCE Cc1nn(-c2cccc3ccccc23)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N1CCC(C)CC1)=C(N)O2 1865029273 JOFZIRXGBWXPMC-SANMLTNESA-N 510.594 4.698 10 10 KJCE COc1ccc(-c2nn(CC(C)C)c3c2[C@H](c2ccc(O)c(O)c2)C(C(=O)N2CCC[C@H](C)C2)=C(N)O3)cc1 1865032961 ORWKLHPRCCIETJ-UUOWRZLLSA-N 532.641 4.579 10 10 KJCE CSCC[C@H](NC(=O)[C@@H](C)Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866842957 SYFVKRQJHGLSBQ-XDHUDOTRSA-N 518.610 4.656 10 10 KJCE CC[C@@](C)(NC(=O)c1nc(C(C)(C)C)n2ccccc12)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1866876173 WCIVXYPSQLUTBG-WJOKGBTCSA-N 522.605 4.944 10 10 KJCE CCC[C@@H](NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867531183 KEVNLCHCJGPBJF-FIRIVFDPSA-N 595.744 4.795 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)N2CCCCC2)cc1 1867784022 LLWKJACRCMRNMA-BZKUTMRRSA-N 612.775 4.946 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)COc4ccc(C)cc4C)n(-c4ccc(C)cc4)n3)CC2)cc1 1869970659 VJYLHDVAOVXQMR-UHFFFAOYSA-N 526.641 4.545 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)Cc4ccc(F)cc4)n(-c4ccc(Cl)cc4)n3)CC2)cc1 1869970819 QTRZHOFZEOWKTL-UHFFFAOYSA-N 520.996 4.576 10 10 KJCE CCCCN(C)C(=O)c1cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc2n1Cc1ccccc1 1873554909 CQJBWPMAKLDUKN-UHFFFAOYSA-N 512.658 4.687 10 10 KJCE CCCCn1c(C(=O)Nc2ccc(F)cc2)cc2c(N3CCN(c4ccc(OC)cc4)CC3)ncnc21 1873649883 AKJNWLINZDMJIG-UHFFFAOYSA-N 502.594 4.958 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 2313559314 WFESVZCHBKJQSL-UHFFFAOYSA-N 631.354 4.983 10 10 KJCE CC(Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)=C1C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 2313682716 JDVJDYQNAJAXLO-UHFFFAOYSA-N 542.596 4.862 10 10 KJCE CCSC1=NSC2=NC(=O)/C(=C\c3cc(OC)c(OCCOc4ccccc4C)c(OC)c3)C(=N)N12 101348290 CQCYXPKGLYHFRK-HACRSSKKSA-N 526.640 4.800 10 10 KJCE CCOc1cc(/C=C2/C(=N)N3OC(C)=CC3=NC2=O)cc(Br)c1OCc1ccccc1[N+](=O)[O-] 101431599 UVMDAUWNGHXBFZ-PDBBVDDMSA-N 527.331 4.785 10 10 KJCE COc1ccc(/C=C2/SC(=S)N(CC(=O)Nc3nnc(SCc4cccc(C)c4)s3)C2=O)cc1 209418605 VZZBFTFTBAPEBN-WOJGMQOQSA-N 528.706 4.987 10 10 KJCE COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCCC(=O)O 210910592 MIYKWVBXYMZTNC-XYGWBWBKSA-N 578.668 4.982 10 10 KJCE Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/N=C(c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)NC1=O 575329301 WQKPPIKYJVIAHS-XQNSMLJCSA-N 526.940 4.717 10 10 KJCE CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)c(=O)n2[C@@H]1c1ccc(OC)cc1OC 725430886 JWEOESJTONYCRZ-SSEXGKCCSA-N 585.726 4.840 10 10 KJCE Cc1c(Br)ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)c1C 1084070718 KORWRQVGYBWNGQ-BOPFTXTBSA-N 510.300 4.901 10 10 KJCE C[C@@H]1C[C@H]1c1ccc(CN(C(=O)CCN2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)[C@@H]2CCS(=O)(=O)C2)o1 1615296215 RHZMCJAAMPJTRQ-VOBBWUNBSA-N 579.165 4.864 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2Cc2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864016030 YVQSUTJTLWDFGZ-SGTLLEGYSA-N 536.938 4.624 10 10 KJCE Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(O)c(O)c1)C(C(=O)N(C)C1CCCCC1)=C(N)O2 1865026979 CFRSOUSIYAXDFV-QHCPKHFHSA-N 509.006 4.731 10 10 KJCE Cc1nn(Cc2c(F)cccc2Cl)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N(C)Cc1ccccc1)=C(N)O2 1865027163 VJILOHIXBDKFQQ-RUZDIDTESA-N 549.002 4.797 10 10 KJCE CCc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc(O)c(O)c1)C(C(=O)N1CCCc3ccccc31)=C(N)O2 1865033416 ZCVAOYHNDREZJC-AREMUKBSSA-N 522.605 4.828 10 10 KJCE O=C(N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1cc(-c2ccco2)on1 1866644928 QRWOAXKPUALYGP-HSZRJFAPSA-N 549.514 4.829 10 10 KJCE CCC[C@@H](NC(=O)C[C@@H](c1ccc(OC)c(C)c1)C(C)C)C(=O)N1CCN(c2ccc(OC)cc2)CC1 1868722203 XDDMPDABJZGSIV-KAYWLYCHSA-N 509.691 4.776 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCN([C@H](C)c5cccs5)CC4)nc(-c4cccnc4)n3)CC2)cc1 1869371970 MJWSOLZHVCVIOV-HSZRJFAPSA-N 541.725 4.819 10 10 KJCE CC[C@@H](C)NC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870962936 IMVMEZCAXZNHTG-QFQXNSOFSA-N 504.631 4.677 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(NCc3ccccc3)C(=O)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 1873163951 DVAMHSCIUKSYFD-UHFFFAOYSA-N 505.574 4.893 10 10 KJCE CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OCC)cc4)C3=O)c2C)cc1 2296559952 FMVJSKWPUMDJCZ-UHFFFAOYSA-N 517.607 4.501 10 10 KJCE CCOC(=O)c1ccc(NCN2C(=O)C(=Cc3ccc(I)cc3)SC2=S)cc1 2297450834 YWUXNHFBUBJZLE-UHFFFAOYSA-N 524.405 4.739 10 10 KJCE Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(C=C3SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 2297461045 LEHFEZNFGNYKHB-UHFFFAOYSA-N 547.750 4.572 10 10 KJCE O=C(N[C@H](Oc1ccc(C=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1)C(Cl)(Cl)Cl)c1ccccc1 2297498036 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CC[C@H](C)NC(=O)COc1cn(C[C@H]2CCCO2)c(CNc2ccc(Nc3ccccc3)cc2)cc1=O 1870962934 IMVMEZCAXZNHTG-HFZDXXHNSA-N 504.631 4.677 10 10 KJCE CCN(CC)CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CNc1ccc(Nc2ccccc2)cc1 1871083717 RQAKTGKUXVTBTA-UHFFFAOYSA-N 519.690 4.793 10 10 KJCE Cc1ccc(C2=NN3C(=N)C(=Cc4ccc(OS(=O)(=O)c5ccc(C)cc5)cc4)C(=O)N=C3S2)cc1 2293556266 ABQNKKFGOCYXAP-UHFFFAOYSA-N 516.604 4.739 10 10 KJCE O=C(O)CCCN1C(=O)C(=Cc2cn([C@H](CCc3ccccc3)C(=O)O)c3ccccc23)SC1=S 2326954785 YIIQCULQYURYOA-OAQYLSRUSA-N 508.621 4.966 10 10 KJCE CCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(Cc3ccc(C)cc3)C2=O)c(C)c(C#N)c1=O 33473127 FIBMHSPUHZUXIG-OEAKJJBVSA-N 506.697 4.994 10 10 KJCE O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C/c1cn(-c2ccccc2)nc1-c1ccncc1 33808785 BLEKTOWJIVRRRV-LGUFXXKBSA-N 506.635 4.722 10 10 KJCE COCc1cc(N2CCN(c3ccc(OC)cc3)CC2)nc(SCc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)n1 98015251 LPKPNUHXOGVOFD-UHFFFAOYSA-N 613.740 4.909 10 10 KJCE Cc1ccc2nc(N3CCN(c4ccccc4F)CC3)c(/C=C3/SC(=S)N(CCC(C)C)C3=O)c(=O)n2c1 103125518 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4.975 10 10 KJCE COc1ccc(N2CCN(Cc3cc(=O)c(OCc4ccc(C)cc4)cn3CCCOC(C)C)CC2)cc1 1870768915 UZBXPVFHKFCDQZ-UHFFFAOYSA-N 519.686 4.882 10 10 KJCE COc1ccc(N2CCN(c3nc(=NCCC4=CCCCC4)[nH]c(=Nc4ccc(C)cc4C)[nH]3)CC2)cc1 1871605167 XYCYPFMBGNVNJT-UHFFFAOYSA-N 513.690 4.713 10 10 KJCE Cc1ccc(C)n1-c1ccc(C2=C(Nc3ccccc3OCC(C)C)C(=O)N(CCN(C)C)C2=O)cc1 1873421275 OXDILIDMLHTESG-UHFFFAOYSA-N 500.643 4.883 10 10 KJCE CCOc1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(I)c1O[C@H](C)CC 2294353268 PHKRLDNZBIESHR-CQSZACIVSA-N 540.398 4.662 10 10 KJCE CCOc1cc(C=C2C(=O)N(c3ccccc3)N=C2C)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 2297306667 YIYLEARUNQDCIC-UHFFFAOYSA-N 507.524 4.567 10 10 KJCE COc1cc(C=C2C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(Br)c1OCc1ccccc1F 2313558393 ZQNNKVPCPHEEJP-UHFFFAOYSA-N 543.320 4.981 10 10 KJCE CN(C)c1ccc(CN(C(=O)C=Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)[C@H]2CCS(=O)(=O)C2)cc1 2314430334 OIAYZJWACJTIIA-LJAQVGFWSA-N 558.679 4.974 10 10 KJCE COc1cc(C=C2SC(=S)N(NC(=O)c3ccc(OCc4ccc(C)cc4)cc3)C2=O)ccc1OCC(=O)O 2314933160 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KJCE COc1cccc2c1O[C@@H](C)C(C=C1SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C1=O)=C2 2314450612 HDCSSAYMADWEJX-INIZCTEOSA-N 505.621 4.606 10 10 KJCE O=C(O)CCN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cccc(S(=O)(=O)N3CCCCCC3)c2)SC1=S 2314476972 ZCMFQOLZDGMSPJ-UHFFFAOYSA-N 596.756 4.780 10 10 KJCE CCCCn1c(N2CCC(C)CC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O 39990399 YDDYTNXLVLMNJM-JWGURIENSA-N 516.733 4.693 10 10 KJCE Cc1ccc2nc(N3CCCC[C@@H]3C)c(/C=C3/SC(=S)N(Cc4ccc5c(c4)OCO5)C3=O)c(=O)n2c1 100886141 VHUKYIOFZWHGDA-QQZPLFJDSA-N 534.663 4.512 10 10 KJCE CCOc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N(CCc4ccc(OC)c(OC)c4)C3=O)c3ccccc32)cc1 102678545 IWDZFXHWFIDKTJ-BYYHNAKLSA-N 603.722 4.902 10 10 KJCE CCCCn1c(N2C[C@H](C)O[C@@H](C)C2)c(/C=C2\SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)c(C)c(C#N)c1=O 137766155 JINZAAMWTBULEK-ZXTIZPPASA-N 632.812 4.646 10 10 KJCE CCCOc1cccc(C2=C(O)C(=O)N(c3cc(OC)c(OC)c(OC)c3)[C@@H]2c2ccc(O)c(O)c2)c1 526629980 DLEALVOUPZOMCM-RUZDIDTESA-N 507.539 4.970 10 10 KJCE CC[C@](C)(NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867094835 XOMJBULORZJQAD-LJAQVGFWSA-N 528.515 4.668 10 10 KJCE CN(C)c1ccc([C@H](CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccc4c(c2)OCO4)C3=O)N2CCCCC2)cc1 1867446706 HWWJOZTUYMLFOO-GPOMZPHUSA-N 717.823 4.668 10 10 KJCE CN(C)c1ccc([C@@H](CNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)N2CCCCC2)cc1 1867466580 KLWAVDGFUZDBPK-OIDHKYIRSA-N 676.793 4.767 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867771659 MVLQZWZNFWDCOD-ILBGXUMGSA-N 562.136 4.509 10 10 KJCE COc1ccc(N2CCN(c3nc(NC(=O)CSc4ccccc4)n(-c4ccc(C)cc4)n3)CC2)cc1 1869969988 LCVOLNBSBNZHQQ-UHFFFAOYSA-N 514.655 4.642 10 10 KJCE CCN(CC)CCNC1=C(c2ccc(-n3c(C)ccc3C)cc2)C(=O)N(CCCc2nc3ccccc3[nH]2)C1=O 1873169581 QBRIFPOQESVRTG-UHFFFAOYSA-N 538.696 4.615 10 10 KJCE COc1cc(C=C2C(=N)N3N=C(C(F)(F)F)SC3=NC2=O)ccc1OCCOc1cc(C)cc(C)c1 2293571107 XCIBUOQWDYORMS-UHFFFAOYSA-N 518.517 4.951 10 10 KJCE CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C2=O)cc1 2293682587 ARVGCKWSPSXTML-UHFFFAOYSA-N 565.376 4.791 10 10 KJCE CC[C@H](C)N1C(=O)C(=Cc2c(N3CCN(c4cccc(Cl)c4)CC3)nc3c(C)cccn3c2=O)SC1=S 2296716972 OMOSOFCTSMIQMX-SFHVURJKSA-N 554.141 4.983 10 10 KJCE CCOC(=O)[C@@H](c1ccccc1)N1C(=O)C(=Cc2cc(Br)c(OCC(=O)N3CCOCC3)c(OCC)c2)SC1=S 2314769578 SECMQFZSPGHLBO-XMMPIXPASA-N 649.585 4.591 10 10 KJCE COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCc3cc(-c4ccc(Cl)cc4)no3)C2=O)cc1 40324340 FQDUBPQQJMJUCG-MTJSOVHGSA-N 514.028 4.911 10 10 KJCE CCCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OC)c2)SC1=S 40939015 SVZQFGOUKNCZRV-VBKFSLOCSA-N 502.452 4.791 10 10 KJCE O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1ccc(/N=N/c3ccccc3)cc1)C2=O 59519592 KWLAKQLPYDKKGK-NVQSTNCTSA-N 515.485 4.844 10 10 KJCE COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(C(=O)O)cc4)c(Br)c3)C(=O)NC2=S)cc1 100345566 QBIILGHKBPEKHC-NDENLUEZSA-N 567.417 4.566 10 10 KJCE CN1C(=O)/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 101378726 QBIDTJNUVWAXLJ-OVVQPSECSA-N 578.090 4.912 10 10 KJCE O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)c([N+](=O)[O-])c1 103773116 FUPQYDVCDJCHPW-UHFFFAOYSA-N 592.662 4.985 10 10 KJCE O=C(NN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(c1ccc(N=Nc3ccccc3)cc1)C2=O 1084018186 KWLAKQLPYDKKGK-UHFFFAOYSA-N 515.485 4.844 10 10 KJCE CC[C@H](C)NC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2-c2ccccc2Cl)[C@H]1c1ccc(O)c(O)c1 1864015846 WZPCXOOZJXSXRP-APPDUMDISA-N 522.911 4.565 10 10 KJCE CCCc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C(=O)N1CCN(c3ccc(OC)cc3)CC1)=C(N)O2 1865014656 BEZIGCRSPBASOG-NDEPHWFRSA-N 549.675 4.877 10 10 KJCE CSCC[C@@H](NC(=O)C[C@H](c1ccccc1)c1nnc(C)o1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867034376 MLKJDHDSEJGCCL-ILBGXUMGSA-N 568.655 4.552 10 10 KJCE COc1cccc(OC)c1C(=O)N[C@@H](C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCCC1)c1ccccc1 1867364068 DJPGLGKAONNXQA-PDDLMNHVSA-N 544.696 4.584 10 10 KJCE CCc1ccc(OCCCOc2ccc(S(=O)(=O)N3CCN(c4ccc(OC)cc4)CC3)cc2)cc1 1872720944 CQLWNZQUORXJOQ-UHFFFAOYSA-N 510.656 4.616 10 10 KJCE CN1C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccc(Br)cc23)C(=O)NC1=S 2313624066 LICNRCBUZCDSSV-UHFFFAOYSA-N 506.784 4.501 10 10 KJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)c1C 2314509144 SNIHVXJORWTFOL-GOSISDBHSA-N 507.637 4.792 10 10 KJCE CCOC(=O)CCCCCN1C(=O)C(=Cc2cc(Br)c(OC)c(OC)c2)SC1=S 2314755020 NUNIKIYJWVXHNX-UHFFFAOYSA-N 502.452 4.791 10 10 KJCE O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1I 691742 BDXKHZAAPWIKCD-UHFFFAOYSA-N 504.309 4.727 10 10 KJCE Cc1c(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)SC2=S)c(=O)n(-c2ccccc2)n1C 35516699 LWAPQLPCWDIEBY-QNGOZBTKSA-N 517.592 4.589 10 10 KJCE CCOc1cc2c(cc1OCC)[C@H]1[C@H](C(=O)N3CCN(c4ccc(OC)cc4)CC3)c3ccccc3C(=O)N1CC2 59522632 NGLZWFFTQOCSOE-JSOSNVBQSA-N 555.675 4.678 10 10 KJCE COc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(I)c1O 100540970 DEYKYTJICRUMBT-MKMNVTDBSA-N 513.129 4.574 10 10 KJCE COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)c3ccccc3)C2=O)ccc1OCCOc1ccc(C)cc1 102444671 HWTVKVGTJSNBQB-MHIQDMOBSA-N 500.551 4.684 10 10 KJCE Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c1C 213200291 SNIHVXJORWTFOL-LZAZYHHXSA-N 507.637 4.792 10 10 KJCE Oc1c(Br)ccc(Br)c1[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCNCC1 575284025 YNHZULOHSYOCFX-MRXNPFEDSA-N 510.148 4.810 10 10 KJCE CCCCCCNC(=O)C1=C(N)Oc2c(c(CC)nn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(O)c(O)c1 1864017729 SWRJXDQKGBGFDA-QFIPXVFZSA-N 511.022 4.890 10 10 KJCE C[C@H]1CCCN(C(=O)C2=C(N)Oc3c(c(C(F)(F)F)nn3-c3ccccc3Cl)[C@H]2c2ccc(O)c(O)c2)C1 1865031512 IPLUNPMJFZTYRE-ORAYPTAESA-N 548.949 4.909 10 10 KJCE CSCC[C@H](NC(=O)CCc1csc(-c2ccncc2)n1)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1867060207 FAEHRNBDEFLKIL-DEOSSOPVSA-N 570.696 4.790 10 10 KJCE CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCCC1 1867371659 AKAHHDJOLNJMKB-RPBOFIJWSA-N 517.139 4.601 10 10 KJCE COc1ccc(N2CCN(c3cc(N4CCO[C@@H](c5ccncc5)C4)nc(-c4ccc(F)cc4)n3)CC2)cc1 1869276995 WPWYLFVBYGWDOS-HHHXNRCGSA-N 526.616 4.591 10 10 KJCE O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cc(Br)c(O)c(Br)c1 2297457859 SQTIDZGKKIPQOI-UHFFFAOYSA-N 561.049 4.511 10 10 KJCE