smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CC2)cc1OC 514390781 VCSWSZLGUVAYKB-UHFFFAOYSA-N 526.659 2.711 30 20 KFED O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O 2048532348 DSHIAFOJIACARI-UHFFFAOYSA-N 804.887 2.672 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 514381771 RNPUGPGDQZIUIH-RUZDIDTESA-N 547.677 2.714 30 20 KFED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cc1Br 514383658 IDAVOOWSPKTPIF-OAHLLOKOSA-N 505.434 2.978 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395201 FJLCEIGVJAAWRQ-PZJWPPBQSA-N 585.708 2.589 30 20 KFED C=CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nc2sc3c(c2c1=O)CCCC3 514290767 AWBMWZMYCGMKBW-UHFFFAOYSA-N 574.729 2.795 30 20 KFED CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 514387618 KXTUATQBZHLKCE-UHFFFAOYSA-N 535.692 2.694 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)c(=O)n1CCCOCC 514299100 DLKHOGCVIFNTSK-UHFFFAOYSA-N 584.651 2.559 30 20 KFED C=CCn1c(SCC(=O)N2CCC(C(=O)OC)CC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514291950 JSVDEPDKCDMQEK-UHFFFAOYSA-N 535.692 2.665 30 20 KFED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC3)nnc12 514292985 OFMKMLCKOPQYND-UHFFFAOYSA-N 609.734 2.582 30 20 KFED CCCC[C@H](CC)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514394219 JTUNDAUUPMMWJQ-KRWDZBQOSA-N 508.623 2.628 30 20 KFED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)c(=O)n1CC(C)C 514381434 FJSLMFZKHQCTOO-UHFFFAOYSA-N 593.702 2.596 30 20 KFED N#C[C@H](c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 514387200 CZRPLYRGJWDGQV-XMMPIXPASA-N 524.643 2.658 30 20 KFED C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](NC(=S)N[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)c1ccnc2ccc(OC)cc12 642880713 MSUIGQCAMSHQNO-GWOFQAFOSA-N 712.822 2.728 30 20 KFED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCOc4ccccc4Cl)CC3)CC2)cc1 514392321 UXCDZXWQROGGSS-UHFFFAOYSA-N 517.051 2.836 30 20 KFED C=CCn1c(S[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1COc2ccccc2O1 514395593 OFVXBUHMCZXKIP-FUHIMQAGSA-N 506.650 2.883 30 20 KFED COCCOCOc1ccc(C#N)cc1-c1cc([C@H](CC(=O)OC)C(=O)OC)cc(C=O)c1OCOCCOC 100074798 SFDRXOKFGTUEJD-QFIPXVFZSA-N 559.568 2.856 30 20 KFED C=CCn1c(SCC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)nc2sc3c(c2c1=O)CCC3 514301655 BPTTYTCJKMOXKA-UHFFFAOYSA-N 530.676 2.923 30 20 KFED C=CCn1c(S[C@H](C)C(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@H]1COc2ccccc2O1 514395596 OFVXBUHMCZXKIP-UWVAXJGDSA-N 506.650 2.883 30 20 KFED C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cc(Br)c(OC)c(OCC)c2)c1=O 514296019 FFSMTMFWVQGHRV-UHFFFAOYSA-N 537.476 2.606 30 20 KFED CCCC[C@@H](CC)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 514394220 JTUNDAUUPMMWJQ-QGZVFWFLSA-N 508.623 2.628 30 20 KFED COCCOCOc1ccc(C#N)cc1-c1cc([C@@H](CC(=O)OC)C(=O)OC)cc(C=O)c1OCOCCOC 100074792 SFDRXOKFGTUEJD-JOCHJYFZSA-N 559.568 2.856 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)ccc1OCc1ccccc1 514381440 FLEXKJUPELWYJL-QHCPKHFHSA-N 545.661 2.802 30 20 KFED C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 555210169 ZIOKNOVFYHIJLR-LBPRGKRZSA-N 500.001 2.744 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccc(OCc3ccccc3)c(OC)c2)c1=O 514381568 JMXKBHZTDGPSHH-UHFFFAOYSA-N 590.746 2.591 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)n(Cc2ccco2)c1C 514394867 VFQMYACKESLCKX-SFHVURJKSA-N 511.608 2.537 30 20 KFED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(=O)n1C[C@H]1CCCO1 514381787 SKLJQGRIQWFACM-HSZRJFAPSA-N 656.592 2.599 30 20 KFED CO[C@@H]1O[C@H](CSC(C)=O)[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 585164781 SUWLYPYIWFRCEW-CIAFKFPVSA-N 530.642 2.802 30 20 KFED CO[C@H]1O[C@H](CSC(C)=O)[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 585164782 SUWLYPYIWFRCEW-MBDNFAEBSA-N 530.642 2.802 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@H]1COc2ccccc2O1 514291518 GUGOPNHHDSLLGS-PXNSSMCTSA-N 506.650 2.740 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(C)(C)C)cc3)n(CCN3CCOCC3)c2=O)cc(OC)c1OC 514394687 ZATJZEFSTZOMFY-UHFFFAOYSA-N 591.730 2.951 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2sccc2c1=O 514377171 ZRJLDDANLUEEKR-UHFFFAOYSA-N 518.665 2.926 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)c(=O)n1CCCOCC 514381804 TWSAFTSBJRCZHF-UHFFFAOYSA-N 637.755 2.756 30 20 KFED C=CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514302996 IFETZNZCGOSNBZ-UHFFFAOYSA-N 634.806 2.913 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@H]3C)n(C[C@H]3CCCO3)c2=O)ccc1OC(F)F 514404941 OPVRJDCXJJTDGB-YVWKXTFCSA-N 547.624 2.897 30 20 KFED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 514301288 YBRHQGVEQAAMKQ-QUCCMNQESA-N 541.095 2.983 30 20 KFED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 514301285 YBRHQGVEQAAMKQ-AZUAARDMSA-N 541.095 2.983 30 20 KFED C=CCn1c(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514293266 SZYXGKLBUHCEQV-GOSISDBHSA-N 562.718 2.791 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514376924 UAOGGLWUFZRUNP-NRFANRHFSA-N 583.802 2.925 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)nc2ccccc2c1=O 514375674 UYZVJUJWBDCPSR-UHFFFAOYSA-N 569.709 2.934 30 20 KFED C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 514295714 DBCYTDAUYAESHH-CRAIPNDOSA-N 503.571 2.904 30 20 KFED C=CCn1c(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nc2scc(-c3ccccc3)c2c1=O 514404550 IDJXCXHECVYWGJ-LJQANCHMSA-N 544.724 2.734 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CCCOCC 514297610 PXKMGPGWODGGJE-UHFFFAOYSA-N 549.693 2.961 30 20 KFED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccccc3CN3CCN(CC)CC3)nnc12 514402595 PNTIRDDUXXAWBQ-UHFFFAOYSA-N 531.686 2.776 30 20 KFED C=CCn1c(SCC(=O)NC(C2CC2)C2CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395923 XEPNUKJLECGTJE-UHFFFAOYSA-N 517.677 2.549 30 20 KFED CC(=O)NCC#Cc1cc(OC[C@@H]2COC(C)(C)O2)c(Br)cc1OC[C@H]1COC(C)(C)O1 261506763 ASVFHJCNDZVQOT-ZWKOTPCHSA-N 512.397 2.997 30 20 KFED C=CCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375589 SOJUYUPMESSQBN-WIYYLYMNSA-N 562.718 2.649 30 20 KFED Cc1c(C#N)c(NC(=O)CCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n(Cc2ccco2)c1C 514392797 CKEGDOSFIVUIJX-UHFFFAOYSA-N 540.602 2.861 30 20 KFED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 514380673 SKNBKYIIZUITOE-FQEVSTJZSA-N 511.648 2.891 30 20 KFED CCCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)c1=O 514381583 JYKCHDNEOHNFAK-UHFFFAOYSA-N 593.702 2.740 30 20 KFED C=CCn1c(SCC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514384992 WLMSJBAQHLULPJ-UHFFFAOYSA-N 617.775 2.839 30 20 KFED CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)n1 514394446 NPFULSNBMLSYAN-UHFFFAOYSA-N 514.629 2.986 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)NC(=O)NC2CCCCC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514293267 SZYXGKLBUHCEQV-SFHVURJKSA-N 562.718 2.791 30 20 KFED C=CCn1c(SCC(=O)N2CCC[C@H](C)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514374406 BMRWRYSBBTXCIB-SFHVURJKSA-N 505.666 2.503 30 20 KFED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 514297158 NZHLODNDAJFKCU-QHCPKHFHSA-N 598.121 2.986 30 20 KFED N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1C[C@H]1CCCO1 514297617 PZRCKOMCERSEKY-GOSISDBHSA-N 515.561 2.977 30 20 KFED C=CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccc(F)cc1 514375898 ZKLNJIDSSFYPBI-UHFFFAOYSA-N 531.614 2.542 30 20 KFED CC(C)CCn1c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1 514401574 ZSAQWWQHVFPAJN-UHFFFAOYSA-N 575.695 2.771 30 20 KFED C=CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3 514301163 VWQGFRQIJULOAJ-IAGOWNOFSA-N 537.729 2.810 30 20 KFED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 514394617 PIROGHONHWCKPV-UHFFFAOYSA-N 551.692 2.707 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC[C@H]3CCCO3)cc2)c(=O)n1Cc1ccccc1 514393485 CLOBXDSAGAUMDL-RUZDIDTESA-N 547.677 2.562 30 20 KFED CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccccc3C#N)CC2)c([N+](=O)[O-])c1 514297888 WKCOSPAIPVIYTB-GOSISDBHSA-N 514.608 2.646 30 20 KFED COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)c(C(=O)OC)c1C 514405346 SUEXZJVTTARXLW-UHFFFAOYSA-N 505.574 2.541 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nc(C(C)(C)C)nc3c2c(=O)n(C)c(=O)n3C)n(Cc2ccco2)c1C 514299983 JUIXUMYOOACBEE-UHFFFAOYSA-N 535.630 2.987 30 20 KFED N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@@H]1CCCO1 514381377 CJUSHSLDHHJFRL-SFHVURJKSA-N 526.460 2.721 30 20 KFED CC[C@@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1-c1ccc(OC)cc1)N(C)C 514386093 CUTMHXUTFZKZLZ-QHCPKHFHSA-N 583.740 2.785 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)ccc1OCc1ccccc1 514298221 XFXSYOPHPLPERM-UHFFFAOYSA-N 561.704 2.948 30 20 KFED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1Cc1cccs1 590989297 KYEUWJAZOLVAHS-UHFFFAOYSA-N 500.001 2.527 30 20 KFED C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 555210168 ZIOKNOVFYHIJLR-GFCCVEGCSA-N 500.001 2.744 30 20 KFED C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2C#N)C1 514391290 GDCQOJDPOSRDIW-MRXNPFEDSA-N 517.633 2.988 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)n(Cc2ccccc2)c1C 514390011 VDXLFAJMCRMRIV-LJQANCHMSA-N 512.661 2.861 30 20 KFED CS(=O)(=O)N=C1C=CC(=C(O)/C(=C(/S)Nc2ccc3c(c2)OCCO3)[n+]2cccc(O)c2)C=C1 728556700 WBPQORSAMFOAOB-UHFFFAOYSA-O 500.578 2.958 30 20 KFED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 514301289 YBRHQGVEQAAMKQ-UYAOXDASSA-N 541.095 2.983 30 20 KFED CCCOc1ccc(CN(CCCN(C)C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 514292949 ONILUCRQGVSHQU-UHFFFAOYSA-N 502.637 2.614 30 20 KFED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(Br)c(OCCC)c(OC)c2)c1=O 514383215 DTPDZGKLJRIYNF-UHFFFAOYSA-N 564.502 2.702 30 20 KFED Cc1c(NC(=O)[C@@H](C)SCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)n(-c2ccccc2)n1C 514294899 DCJWOMYWWBNLDS-OAQYLSRUSA-N 532.670 2.761 30 20 KFED CC(C)CCn1c(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1 514387147 JITJCZBGJWBMMJ-UHFFFAOYSA-N 575.695 2.771 30 20 KFED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 514385249 FEHJUKDBEIBRJW-UHFFFAOYSA-N 508.543 2.591 30 20 KFED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nnc1C1CC1 514386047 ZXBCKPJOZPHYSO-UHFFFAOYSA-N 500.021 2.759 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)c1=O 514385003 WPWBKJRMWOSSNQ-UHFFFAOYSA-N 535.622 2.508 30 20 KFED C=CCn1c(S[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@H]1COc2ccccc2O1 514395594 OFVXBUHMCZXKIP-HLIPFELVSA-N 506.650 2.883 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(Br)ccc2OC(F)F)c1=O 514385009 WSGHKXUFLMHRDM-UHFFFAOYSA-N 556.429 2.826 30 20 KFED COc1ccc(CCNC(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2C[C@H]2CCCO2)cc1OC 514298292 ZJZJZMZFPBTGOS-HSZRJFAPSA-N 547.677 2.585 30 20 KFED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)nnc1-c1ccoc1C 514385736 SPTDHFUBHZSZMR-UHFFFAOYSA-N 547.659 2.675 30 20 KFED Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n(C[C@H]2CCCO2)c1=O 514297811 SMIHZYGOCBQMIR-OAQYLSRUSA-N 598.772 2.775 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1CCCOCC 514297177 OGDWPSVYLZMXTQ-UHFFFAOYSA-N 512.459 2.689 30 20 KFED CCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cc(Br)ccc2OC)c1=O 514381495 HCIBLWNATZCILV-UHFFFAOYSA-N 514.449 2.960 30 20 KFED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 514392040 SMELTQCFJOLOGU-UHFFFAOYSA-N 501.609 2.797 30 20 KFED C[C@@](C#N)(NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)C1CC1 514405694 YHMAJPCTTYRPJV-VWLOTQADSA-N 544.703 2.982 30 20 KFED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)s3)c(=O)n2C[C@@H]2CCCO2)CC1 514393500 CVFIFELFZOFMOK-SFHVURJKSA-N 571.124 2.664 30 20 KFED C=CCn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nc2scc(-c3ccccc3)c2c1=O 514404549 IDJXCXHECVYWGJ-IBGZPJMESA-N 544.724 2.734 30 20 KFED CCn1c(CCC(=O)NCCSCc2ccccc2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514301225 WSIVUXPTYVFULT-UHFFFAOYSA-N 541.699 2.931 30 20 KFED N#Cc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1Cl 514379307 PTRFBPNYDQQYCG-UHFFFAOYSA-N 533.994 2.996 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccc(Cl)s2)c1=O 514394520 XQNSVVZBCQIMCL-UHFFFAOYSA-N 573.140 2.912 30 20 KFED CCCCn1c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc2c1c(O)nc(=O)n2Cc1ccccc1 514401301 SIRSIJINFKRVMC-UHFFFAOYSA-N 561.668 2.525 30 20 KFED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c(=O)n1C[C@H]1CCCO1 514297154 NZHLODNDAJFKCU-HSZRJFAPSA-N 598.121 2.986 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CCCOCC 514381378 CKDXJEACCDJYCS-UHFFFAOYSA-N 549.693 2.961 30 20 KFED C=S(=C)(O)[C@@H](CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 2048536990 IOVAXWNBUJPFQK-HGVDDWNCSA-N 649.839 2.792 30 20 KFED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2CCN2CCOCC2)cc1 514403240 XOLOFDGHTTWDCF-UHFFFAOYSA-N 577.703 2.606 30 20 KFED COC(=O)c1ccc(COc2ccc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(CCN4CCOCC4)c3=O)cc2)cc1 514297774 SCAXEPZZEHPNOF-UHFFFAOYSA-N 589.714 2.726 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)sc(=Cc2ccc(OC)cc2)c1=O 514381971 YDCFZNIRGMCPGF-UHFFFAOYSA-N 610.758 2.661 30 20 KFED C=CCN(Cc1cccs1)C(=O)CSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 514395610 OJBCIWFLJALHMG-UHFFFAOYSA-N 539.701 2.664 30 20 KFED COC(=O)c1ccc(COc2ccc(C=c3sc(=C(C#N)C(=O)N4CCCC4)n(C[C@H]4CCCO4)c3=O)cc2OC)cc1 514296844 LDEFWMCZXBLJJJ-XMMPIXPASA-N 603.697 2.588 30 20 KFED C=CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3 514301160 VWQGFRQIJULOAJ-DLBZAZTESA-N 537.729 2.810 30 20 KFED C=CCn1c(S[C@H](C)C(=O)N2CCN(CC)CC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514377153 YYFNXRTXGJDKIU-LJQANCHMSA-N 520.725 2.806 30 20 KFED COC(=O)CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)c1=O 514388749 YCPXFFJUMOLVRQ-UHFFFAOYSA-N 591.686 2.585 30 20 KFED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(NC3CCCCC3)s2)CC1 514377424 UYKPYBUVOAECHC-UHFFFAOYSA-N 506.679 2.780 30 20 KFED COc1cc([C@@H](OCc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c3ncnc(N)c23)C(C)(C)C)c([N+](=O)[O-])cc1C#CCNC(=O)C(F)(F)F 2171545711 LEIDIOLXYGLALB-IEEQIXEPSA-N 650.611 2.905 30 20 KFED C=CCn1c(S[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395920 XDCVSUXZEYOMOR-OAQYLSRUSA-N 598.751 2.687 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3)CC2)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 514300704 QUVSWHLAQITXTK-UHFFFAOYSA-N 598.672 2.798 30 20 KFED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1CCCOCC 514381580 JUCOGUJDMRUMJD-UHFFFAOYSA-N 522.465 2.527 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)n(-c2ccc(F)cc2)c1C 514391615 MGQVGWGDJAIRHO-INIZCTEOSA-N 516.624 2.941 30 20 KFED C=CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)nc2cc(Cl)ccc2c1=O 514376016 ZJDAECDXHGDCGK-UHFFFAOYSA-N 549.053 2.652 30 20 KFED C=CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3 514301165 VWQGFRQIJULOAJ-IRXDYDNUSA-N 537.729 2.810 30 20 KFED CCCCN(C(=O)CN1CCCN(Cc2ccc(C#N)cc2)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 514392779 BNTFDYCXGYZFMP-UHFFFAOYSA-N 543.672 2.792 30 20 KFED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 514384225 RFMXAQYRUCRUIL-UHFFFAOYSA-N 527.647 2.858 30 20 KFED CCOc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CCCSC)c2=O)cc(Br)c1OC 514394291 SGCOGBITIOVXQC-UHFFFAOYSA-N 552.516 2.614 30 20 KFED C=CCn1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514291347 FIDXDCYOEDUNSU-UHFFFAOYSA-N 598.751 2.924 30 20 KFED C=CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@H]2C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 514295718 DBCYTDAUYAESHH-QAPCUYQASA-N 503.571 2.904 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)nnc1C1CC1 514292613 OLNQNFQBDOBQJR-UHFFFAOYSA-N 534.708 2.939 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@H]3C)n(C[C@@H]3CCCO3)c2=O)ccc1OC(F)F 514404939 OPVRJDCXJJTDGB-IMFGXOCKSA-N 547.624 2.897 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)nc2sc(C)c(C)c2c1=O 514403819 QXLMDLBAOYLMLV-HNNXBMFYSA-N 507.663 2.856 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1C[C@@H]1CCCO1 514298215 XDEXPDZREONGEP-NRFANRHFSA-N 525.602 2.534 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccccc2OC(F)F)c1=O 514300538 YGXIKYROUSFVDR-UHFFFAOYSA-N 598.672 2.798 30 20 KFED C=CCn1c(SC[C@@H](O)COCc2ccccc2F)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514400943 GDWVTHWRTLHPBS-NRFANRHFSA-N 548.662 2.961 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc([C@@H]3CCS(=O)(=O)C3)n2C)n(-c2cccc(F)c2)c1C 514390145 ZFCXQEOMYJAOOZ-OAHLLOKOSA-N 502.597 2.866 30 20 KFED C[C@](C#N)(NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCC1)C1CC1 514405693 YHMAJPCTTYRPJV-RUZDIDTESA-N 544.703 2.982 30 20 KFED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 514381459 FZZJEAIHRCMWER-UHFFFAOYSA-N 574.501 2.682 30 20 KFED C[C@@](C#N)(NC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N[C@@](C)(C#N)C3CC3)cc2)cc1)C1CC1 514375804 WZJMHTUOXKKIOI-NSOVKSMOSA-N 550.637 2.894 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)n2C)n(-c2ccc(F)cc2)c1C 514391618 MGQVGWGDJAIRHO-MRXNPFEDSA-N 516.624 2.941 30 20 KFED Cn1c(CCC(=O)Nc2sc3c(c2C#N)CCCC3)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514377274 PTHWPGKUTYQQCF-UHFFFAOYSA-N 513.645 2.977 30 20 KFED C=CCn1c(S[C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514404074 XTGUQKGKHZQBCH-LJQANCHMSA-N 587.724 2.966 30 20 KFED CC(=O)NCC#Cc1cc(OC[C@H]2COC(C)(C)O2)c(Br)cc1OC[C@@H]1COC(C)(C)O1 261506760 ASVFHJCNDZVQOT-MSOLQXFVSA-N 512.397 2.997 30 20 KFED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)NC[C@@H]4CCCO4)cc3)CC2)cc1 514394815 TXVQZXWJMQZTTN-QFIPXVFZSA-N 511.604 2.898 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(Cl)c2)c(=O)n1CCCOCC 514381371 BXWJBEHWRAMOKT-UHFFFAOYSA-N 512.459 2.689 30 20 KFED CCOC(=O)c1sc2[nH]c(CSCCC(=O)N3CCN(c4ncccc4C#N)CC3)nc(=O)c2c1C 514390278 DUVPTMBBCUYOGA-UHFFFAOYSA-N 526.644 2.709 30 20 KFED N#Cc1c(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)sc2c1CCC2 514294144 WQTYHLYZJMZYDH-UHFFFAOYSA-N 545.643 2.893 30 20 KFED Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)c3cc4c(cc3Cl)NC(=O)CO4)CC2)c1 514386414 ODHWBEBOHAWGKG-UHFFFAOYSA-N 546.049 2.541 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc([C@H]3CCS(=O)(=O)C3)n2C)n(-c2cccc(F)c2)c1C 514390144 ZFCXQEOMYJAOOZ-HNNXBMFYSA-N 502.597 2.866 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1COc2ccccc2O1 514291521 GUGOPNHHDSLLGS-YLJYHZDGSA-N 506.650 2.740 30 20 KFED Cc1c(NC(=O)[C@H](C)SCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(=O)n(-c2ccccc2)n1C 514294896 DCJWOMYWWBNLDS-NRFANRHFSA-N 532.670 2.761 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(OC)ccc3ccccc23)c(=O)n1CCCOCC 514295519 CAIVOCZXWPYFHI-UHFFFAOYSA-N 523.655 2.544 30 20 KFED CC(=O)NCC#Cc1cc(OC[C@H]2COC(C)(C)O2)c(Br)cc1OC[C@H]1COC(C)(C)O1 261506762 ASVFHJCNDZVQOT-ROUUACIJSA-N 512.397 2.997 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)n2C)n(Cc2ccccc2)c1C 514390010 VDXLFAJMCRMRIV-IBGZPJMESA-N 512.661 2.861 30 20 KFED C=CCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375585 SOJUYUPMESSQBN-GHTZIAJQSA-N 562.718 2.649 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514293092 RRGJBTSSARMDPE-FQEVSTJZSA-N 634.806 2.958 30 20 KFED C=S(=C)(O)[C@H](CNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)NCCC(=O)N1Cc2ccccc2C#Cc2ccccc21 2048536991 IOVAXWNBUJPFQK-VKBBSDOSSA-N 649.839 2.792 30 20 KFED CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2C[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 255200170 BLKGRRRHOTWIRC-XODRHEQBSA-N 820.970 2.909 30 20 KFED COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccc(C(C)(C)C)cc3)n(CCN3CCOCC3)c2=O)c1OC 514394293 SHFXJZZLZJFBAN-UHFFFAOYSA-N 561.704 2.943 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc3c(cc2Br)OCO3)c1=O 514402921 HILLYNCDGUOVDO-UHFFFAOYSA-N 521.433 2.946 30 20 KFED CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)cc1 514387653 HQBRBKRWWQQVLK-UHFFFAOYSA-N 544.699 2.615 30 20 KFED COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1nc2c(c(C)c1C#N)CCC2 514384972 VYXUYLLSMUVNCU-UHFFFAOYSA-N 502.618 2.511 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)c(=O)n1CCCOCC 514296066 FTGNZFJCMGPJTE-UHFFFAOYSA-N 592.718 2.643 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 514381772 RNPUGPGDQZIUIH-VWLOTQADSA-N 547.677 2.714 30 20 KFED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(Cc4ccc(OC)c(OC)c4OC)CC3)nnc12 514299740 QDRBLGOXGDLEGM-UHFFFAOYSA-N 564.668 2.693 30 20 KFED CCn1c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514375400 OSEKERHOHZFXJD-KRWDZBQOSA-N 505.666 2.900 30 20 KFED C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 514297326 UWSZEJLXOMPOLQ-HNNXBMFYSA-N 513.494 2.926 30 20 KFED C=CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCCC3 514301167 VWQGFRQIJULOAJ-SJORKVTESA-N 537.729 2.810 30 20 KFED COc1ccc2ccccc2c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(CCN2CCOCC2)c1=O 514297025 MINZWVJBGSFPNP-UHFFFAOYSA-N 505.640 2.522 30 20 KFED C=CCn1c(CCN2CCCCC2)nnc1S[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 514391480 LANBLWAHIWRIFB-SFHVURJKSA-N 506.698 2.862 30 20 KFED C=CCn1c(SCC(=O)NC(=O)NCC(F)(F)F)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514303934 QVKKJSDNHIODMK-UHFFFAOYSA-N 534.586 2.642 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)N2CCN(CC)CC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514377152 YYFNXRTXGJDKIU-IBGZPJMESA-N 520.725 2.806 30 20 KFED COc1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(CCN3CCOCC3)c2=O)ccc1OCc1ccccc1 514401997 IPKQYWWMODYJQP-UHFFFAOYSA-N 612.756 2.699 30 20 KFED C=CCn1c(SCC(=O)c2ccc3c(c2)CCN3S(=O)(=O)CC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514384658 RVQOCZZBTFGLAO-UHFFFAOYSA-N 617.775 2.839 30 20 KFED N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 514297620 PZRCKOMCERSEKY-SFHVURJKSA-N 515.561 2.977 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)n(C[C@@H]3CCCO3)c2=O)ccc1OC(F)F 514384094 LEVVFMZFVINTKO-QFIPXVFZSA-N 596.656 2.551 30 20 KFED C=CCn1c(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514386509 QRWRACJOKNBQAY-GOSISDBHSA-N 545.691 2.622 30 20 KFED N#CCc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)cc1 514388333 XASUOPGCXLVMSU-GOSISDBHSA-N 528.856 2.915 30 20 KFED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1-c1ccc2c(c1)OCCO2 590994650 GKGYSKHYIFJUHX-UHFFFAOYSA-N 500.001 2.511 30 20 KFED COc1ccc(CCN/C(S)=C(/C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2cccc(O)c2)cc1 728556556 PHKRRTVQZXKSSU-UHFFFAOYSA-O 500.622 2.915 30 20 KFED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cc(Br)ccc2OC)c1=O 514297118 NKSWHROLMGRFST-UHFFFAOYSA-N 558.502 2.977 30 20 KFED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 514295841 LFYRIDXJGSLFAC-UHFFFAOYSA-N 511.604 2.520 30 20 KFED COc1ccc(CCNC(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3C)c(=O)n2C[C@@H]2CCCO2)cc1OC 514298293 ZJZJZMZFPBTGOS-QHCPKHFHSA-N 547.677 2.585 30 20 KFED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 514394044 GUQBBAXRMGOOLE-UHFFFAOYSA-N 529.619 2.610 30 20 KFED C=CCNC(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cc(Br)c(OCC)c(OC)c2)c1=O 514304739 YFFONRKZLMDQEF-UHFFFAOYSA-N 537.476 2.606 30 20 KFED N#Cc1cccnc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1 514390200 BDXVUGJBRVBQGL-UHFFFAOYSA-N 507.538 2.722 30 20 KFED N#Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])sc2c1CCCCC2 514375839 WPLXWVJETMCQKH-UHFFFAOYSA-N 520.589 2.835 30 20 KFED C=CCn1c(SCC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Br)cc1 514301714 CQCSORNDXGJOMA-KRWDZBQOSA-N 529.482 2.648 30 20 KFED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)CC2)cc1 514386746 ANJAKVRETOHPRS-UHFFFAOYSA-N 571.508 2.799 30 20 KFED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(O)nc1=O 514405163 RMXFWQUXPQZDQJ-JOCHJYFZSA-N 555.655 2.649 30 20 KFED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F 514297328 UWSZEJLXOMPOLQ-OAHLLOKOSA-N 513.494 2.926 30 20 KFED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 514383300 GJHYAKJASCHVJK-IBGZPJMESA-N 506.506 2.883 30 20 KFED C=CCn1c(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514293094 RRGJBTSSARMDPE-HXUWFJFHSA-N 634.806 2.958 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)c1=O 514303086 TWHXJSGZWCWOIX-UHFFFAOYSA-N 565.692 2.960 30 20 KFED C=CCn1c(SCC(=O)N2CCC[C@@H](C)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514374405 BMRWRYSBBTXCIB-GOSISDBHSA-N 505.666 2.503 30 20 KFED C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514291905 JYXDRTCLKLMNRG-UHFFFAOYSA-N 559.670 2.859 30 20 KFED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1[C@H](C)c1cccs1 608829251 JKXDAMHHTCQMSH-CYBMUJFWSA-N 500.001 2.768 30 20 KFED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c(=O)n2C[C@@H]2CCCO2)CC1 514297259 PCQTVPXERFKGTQ-VWLOTQADSA-N 606.148 2.662 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)NCCCOC(C)C)n(-c3ccc(C)cc3C)c2=O)cc(OC)c1OC 514393619 HFSIYAGCKUXBBJ-UHFFFAOYSA-N 565.692 2.976 30 20 KFED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(CC)c1c(O)nc(=O)n(CCCC)c1N 514385858 XCTALKGZYVGORI-UHFFFAOYSA-N 531.614 2.972 30 20 KFED Cc1ccsc1C=c1sc(=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)n(C[C@@H]2CCCO2)c1=O 514297808 SMIHZYGOCBQMIR-NRFANRHFSA-N 598.772 2.775 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)n(C[C@@H]3CCCO3)c2=O)ccc1OC(F)F 514404940 OPVRJDCXJJTDGB-XKGZKEIXSA-N 547.624 2.897 30 20 KFED CC1(C)CC(=O)C(=C(CCOCCOCCOCCOCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@H]32)NCCCN=[N+]=[N-])C(=O)C1 1857791856 HUAWNOKWZYCBQA-UCVANPEUSA-N 695.884 2.787 30 20 KFED C=CCn1c(SC[C@H](O)COCc2ccccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514387588 PIZMVBNWLDSVFD-JOCHJYFZSA-N 560.698 2.830 30 20 KFED Cc1c(C#N)c(NC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)n(Cc2ccco2)c1C 514394866 VFQMYACKESLCKX-GOSISDBHSA-N 511.608 2.537 30 20 KFED CCCn1c(=C(C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 514296036 FLNNPJQXKAJYFR-UHFFFAOYSA-N 626.757 2.662 30 20 KFED CCCCn1c(CCC(=O)N2CCN(c3ncccc3C#N)CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 514390435 JXOFMURQYCUNTF-UHFFFAOYSA-N 523.663 2.635 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(=O)n1CCN1CCOCC1 514381765 RHKFBIWPVGXVEJ-UHFFFAOYSA-N 658.608 2.847 30 20 KFED O=C(CCCCCCCCCCS)NCCOCCOCCOCCOCCOCCOCCOCCO 104843173 YSLHYTZEFFDHAM-UHFFFAOYSA-N 569.802 2.652 30 20 KFED C=CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514291855 JPJKGJWLWNQFLN-UHFFFAOYSA-N 632.790 2.667 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514376925 UAOGGLWUFZRUNP-OAQYLSRUSA-N 583.802 2.925 30 20 KFED C=CCn1c(S[C@H](C)C(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@H]1COc2ccccc2O1 514395595 OFVXBUHMCZXKIP-MBOZVWFJSA-N 506.650 2.883 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(CC(C)C)c2=O)cc(OC)c1OC 514381335 AKFZQKBRLMMMJJ-UHFFFAOYSA-N 640.784 2.908 30 20 KFED C=CCn1c(SC[C@H](O)COc2ccccc2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514387733 PNPPNVLQMMTZJC-OAQYLSRUSA-N 530.672 2.992 30 20 KFED C=CCn1c(SCC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375588 SOJUYUPMESSQBN-RXVVDRJESA-N 562.718 2.649 30 20 KFED COc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(C)cc(C(F)(F)F)c3C#N)CC2)cc1 514292352 KJWQANVDOMPKRC-UHFFFAOYSA-N 514.551 2.914 30 20 KFED C=CCn1c(SCC(=O)Nc2sc(C(=O)OC)c(CC(=O)OC)c2C(=O)OCC)nnc1C1CC1 514299959 JAFZSKWOHYTFBF-UHFFFAOYSA-N 522.605 2.813 30 20 KFED CC(=O)NCC#Cc1cc(OC[C@@H]2COC(C)(C)O2)c(Br)cc1OC[C@@H]1COC(C)(C)O1 261506761 ASVFHJCNDZVQOT-QZTJIDSGSA-N 512.397 2.997 30 20 KFED CCOc1ccc(CN(CCCN(C)C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OCC 514404788 MSROYNBTODRRKW-UHFFFAOYSA-N 502.637 2.614 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cc(Br)c1O 514381732 PSOUUHAPDFYDPJ-CQSZACIVSA-N 521.433 2.684 30 20 KFED C=CCn1c(CCN2CCCCC2)nnc1S[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 514391479 LANBLWAHIWRIFB-GOSISDBHSA-N 506.698 2.862 30 20 KFED Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CC2)c1 514403406 UWSUPMQURNWUMR-UHFFFAOYSA-N 551.713 2.523 30 20 KFED CCCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(O)nc1=O 514387499 NWTBCFOMNJOOMK-UHFFFAOYSA-N 564.668 2.837 30 20 KFED CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2sc(C)c(C)c2c1=O 514386452 PTCKNEVPFCBXDT-UHFFFAOYSA-N 531.685 2.592 30 20 KFED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(Cl)s3)c(=O)n2C[C@H]2CCCO2)CC1 514393499 CVFIFELFZOFMOK-GOSISDBHSA-N 571.124 2.664 30 20 KFED CCn1c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514375401 OSEKERHOHZFXJD-QGZVFWFLSA-N 505.666 2.900 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1CCCOCC 514381368 BWOSIXBMZIJCIR-UHFFFAOYSA-N 617.360 2.613 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)NCCc2ccc(OC)c(OC)c2)sc(=Cc2ccc(C)s2)c1=O 514404370 FGPWMZAZUZJKMW-UHFFFAOYSA-N 541.695 2.586 30 20 KFED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 514301287 YBRHQGVEQAAMKQ-ICSRJNTNSA-N 541.095 2.983 30 20 KFED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCCSCc2ccccc2C#N)c([N+](=O)[O-])c1 514383034 BHZIDNXGUCFJBA-UHFFFAOYSA-N 506.606 2.925 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395200 FJLCEIGVJAAWRQ-FPOVZHCZSA-N 585.708 2.589 30 20 KFED N#C[C@@H](c1ccccc1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)CC1 514387199 CZRPLYRGJWDGQV-DEOSSOPVSA-N 524.643 2.658 30 20 KFED C=CCn1c(=C(C#N)C(=O)N[C@H]2CCCC[C@@H]2C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 514295719 DBCYTDAUYAESHH-YJBOKZPZSA-N 503.571 2.904 30 20 KFED CCOc1c(Br)cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)cc1OC 514402513 AWHRFJMGYGIAOY-UHFFFAOYSA-N 578.529 2.530 30 20 KFED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1[C@@H](C)c1cccs1 608829252 JKXDAMHHTCQMSH-ZDUSSCGKSA-N 500.001 2.768 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cc(Br)c1O 514381731 PSOUUHAPDFYDPJ-AWEZNQCLSA-N 521.433 2.684 30 20 KFED C=CCn1c(SC[C@H](O)COCc2ccccc2F)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514400944 GDWVTHWRTLHPBS-OAQYLSRUSA-N 548.662 2.961 30 20 KFED C[C@](C#N)(NC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N[C@](C)(C#N)C3CC3)cc2)cc1)C1CC1 514375805 WZJMHTUOXKKIOI-VSGBNLITSA-N 550.637 2.894 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)n(C[C@H]3CCCO3)c2=O)ccc1OC(F)F 514404938 OPVRJDCXJJTDGB-ILZDJORESA-N 547.624 2.897 30 20 KFED C=CCn1c(SCC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccc(Br)cc1 514301715 CQCSORNDXGJOMA-QGZVFWFLSA-N 529.482 2.648 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC[C@@H]3CCCO3)cc2)c(=O)n1Cc1ccccc1 514393486 CLOBXDSAGAUMDL-VWLOTQADSA-N 547.677 2.562 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514386510 QRWRACJOKNBQAY-SFHVURJKSA-N 545.691 2.622 30 20 KFED N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)sc2c1CCCC2 514298175 WFLJBPBQAVMHBN-UHFFFAOYSA-N 503.606 2.742 30 20 KFED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)cc2)c(=O)n1CCN1CCOCC1 514382047 ZZHNRBMBORKVMO-UHFFFAOYSA-N 531.678 2.939 30 20 KFED CCn1c(SCC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)nc2cc(S(N)(=O)=O)ccc21 514389891 QLYNBIGQVAREHX-UHFFFAOYSA-N 504.638 2.761 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)nnc1[C@H]1COc2ccccc2O1 514291512 GUGOPNHHDSLLGS-FXAWDEMLSA-N 506.650 2.740 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nc2ccccc2c1=O 514292890 OZQCVOPOEPFNMV-UHFFFAOYSA-N 512.636 2.864 30 20 KFED CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C#N)cc1 514404535 GTMUMTSWKUJBOL-UHFFFAOYSA-N 522.649 2.607 30 20 KFED C=CCn1c(S[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395199 FJLCEIGVJAAWRQ-CTNGQTDRSA-N 585.708 2.589 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1OC 514390790 CDFNMSJZUAPFKC-INIZCTEOSA-N 502.622 2.735 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)c1=O 514381626 LXILUALMBTYAKK-UHFFFAOYSA-N 605.713 2.836 30 20 KFED CCCCn1c(SCC(=O)N(CCC#N)CCC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 514376209 DEABQXAXXYHETD-UHFFFAOYSA-N 518.665 2.605 30 20 KFED COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cc1Br 514383655 IDAVOOWSPKTPIF-HNNXBMFYSA-N 505.434 2.978 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC(C)C)nnc1C1CC1 514385254 FFZQPRUKPKVUFG-UHFFFAOYSA-N 521.665 2.880 30 20 KFED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 514405268 UZRMOKZCBQKTRX-UHFFFAOYSA-N 506.698 2.782 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCN(c4ccccc4)CC3)n(C[C@H]3CCCO3)c2=O)ccc1OC(F)F 514384093 LEVVFMZFVINTKO-JOCHJYFZSA-N 596.656 2.551 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CCN3CCOCC3)c2=O)ccc1OCc1ccc(Cl)cc1 514381438 FLCXVBIOSZUWRZ-UHFFFAOYSA-N 597.137 2.511 30 20 KFED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 514383901 HKPCVXHPVLHPPX-UHFFFAOYSA-N 502.593 2.655 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3cc(OC)ccc3c2)c(=O)n1CCCOCC 514385020 WWYBGDCSSYSDET-UHFFFAOYSA-N 523.655 2.544 30 20 KFED C=CCn1c(SC[C@@H](O)COc2ccccc2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514387599 PNPPNVLQMMTZJC-NRFANRHFSA-N 530.672 2.992 30 20 KFED COc1ccc(CN/C(S)=C(/C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)[n+]2cccc(CO)c2)cc1 728556149 SIHMKEGJXRDPFS-UHFFFAOYSA-O 500.622 2.659 30 20 KFED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)ccc1OCc1ccccc1 514381439 FLEXKJUPELWYJL-HSZRJFAPSA-N 545.661 2.802 30 20 KFED C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1 514382705 AWSMQXDWRXYJHN-UHFFFAOYSA-N 517.051 2.758 30 20 KFED CCc1cccc(CC)c1NC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CCN1CCOCC1 514296677 KASHEAHUBJPJHL-UHFFFAOYSA-N 641.588 2.985 30 20 KFED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 514297816 VBYSQHSUYYDFPD-UHFFFAOYSA-N 522.656 2.701 30 20 KFED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)Nc4ccc(OC(F)(F)F)cc4)CC3)CC2)cc1 514387339 CYRYVAGZPRJFDG-UHFFFAOYSA-N 579.601 2.640 30 20 KFED Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 514383303 GJHYAKJASCHVJK-LJQANCHMSA-N 506.506 2.883 30 20 KFED C[C@](C#N)(NC(=O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)N[C@@](C)(C#N)C3CC3)cc2)cc1)C1CC1 514375802 WZJMHTUOXKKIOI-HNRBIFIRSA-N 550.637 2.894 30 20 KFED C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCN(C)CC1 514380674 SKNBKYIIZUITOE-HXUWFJFHSA-N 511.648 2.891 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1CCCOCC 514388318 OGXIYZRSYYJFJP-UHFFFAOYSA-N 511.644 2.691 30 20 KFED N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)CCCCC1 514381755 QSUCSSXNJYBVPN-UHFFFAOYSA-N 503.850 2.751 30 20 KFED N#CCc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3Cl)CC2)cc1 514388334 XASUOPGCXLVMSU-SFHVURJKSA-N 528.856 2.915 30 20 KFED CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COCC[Si](C)(C)C)cn2)C1 199929109 WUWJJJDMZWZKQS-UHFFFAOYSA-N 501.689 2.881 30 20 KFED CC(C)CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2ccccc2c1=O 514380132 FZWUOBPPLYAWOH-UHFFFAOYSA-N 539.683 2.939 30 20 KFED N#CCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC(F)(F)F)cc1 514405269 VAZPJKLSWLILSQ-UHFFFAOYSA-N 512.510 2.765 30 20 KFED CC(C)OCCCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1cccc(C#N)c1 514392545 XRIXBKKOWOINKG-UHFFFAOYSA-N 522.649 2.607 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(OC)c(OCc3ccccc3)c2)c1=O 514297009 MBCKTVPGWDQWOJ-UHFFFAOYSA-N 565.692 2.580 30 20 KFED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(O)nc1=O 514405164 RMXFWQUXPQZDQJ-QFIPXVFZSA-N 555.655 2.649 30 20 KFED CCN(CC)S(=O)(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3C#N)CC2)c([N+](=O)[O-])c1 514297889 WKCOSPAIPVIYTB-SFHVURJKSA-N 514.608 2.646 30 20 KFED N#Cc1cc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)ccc1Cl 514402522 BFMDREOORIAINS-UHFFFAOYSA-N 533.994 2.996 30 20 KFED C=CCn1c(SCC(=O)N2CCN(C(=O)CSc3nnc(C4CC4)n3CC=C)CC2)nnc1C1CC1 514376237 DNJATOFUBQLCFY-UHFFFAOYSA-N 528.708 2.552 30 20 KFED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514293114 RSIVTHKJTANHJU-UHFFFAOYSA-N 618.807 2.787 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccc(F)cc3)o2)c(=O)n1C[C@H]1CCCO1 514298216 XDEXPDZREONGEP-OAQYLSRUSA-N 525.602 2.534 30 20 KFED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cccc(Br)c2)c1=O 514296967 LPEUOWJNWCWURJ-UHFFFAOYSA-N 528.476 2.968 30 20 KFED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(NC(=O)c3ccccc3Cl)c2)c1=O 514297598 PSOBJOCBQFSSDH-UHFFFAOYSA-N 608.164 2.909 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)NCc2ccc(OC)c(OC)c2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514404073 XTGUQKGKHZQBCH-IBGZPJMESA-N 587.724 2.966 30 20 KFED COc1ccc(CCn2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3cc(OC)c(OC)c(OC)c3)c2=O)cc1 514394119 PYCODKQOSDVDOO-UHFFFAOYSA-N 563.676 2.749 30 20 KFED C=CCn1c(SCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514293956 YCJWTPACMUEHGR-UHFFFAOYSA-N 648.789 2.789 30 20 KFED C=CCNC(=O)Nc1ccc(NC(=O)C2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)cc1 514395108 CLKMBQPMKIRBHB-UHFFFAOYSA-N 572.644 2.778 30 20 KFED COc1ccc(C(=O)Nc2cccc(C=c3sc(=C(C#N)C(=O)C(C)(C)C)n(CCN4CCOCC4)c3=O)c2)cc1 514381485 GVVKHRNJOVKMOL-UHFFFAOYSA-N 574.703 2.621 30 20 KFED CCCCCN(C(=O)CCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1c(O)nc(=O)n(CCCC)c1N 514296347 OSMNUGXESKOXJO-UHFFFAOYSA-N 551.692 2.851 30 20 KFED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N 514292072 KPGDYKLEFFCKDC-UHFFFAOYSA-N 561.640 2.599 30 20 KFED CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 514387659 HRSHQRMJKHYAQQ-UHFFFAOYSA-N 511.648 2.669 30 20 KFED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(OCC)c(OC)c2)c(=O)n1CCCOCC 514300730 RXQJCNPDYBXMPN-UHFFFAOYSA-N 596.544 2.552 30 20 KFED Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 514390296 FHPPVWXSCIXGHZ-UHFFFAOYSA-N 525.631 2.910 30 20 KFED CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 514387088 BKSHANFTYYIFBJ-UHFFFAOYSA-N 539.614 2.674 30 20 KFED C=CCn1c(SCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@H]1COc2ccccc2O1 514291520 GUGOPNHHDSLLGS-XLIONFOSSA-N 506.650 2.740 30 20 KFED Cc1ccc(S(=O)(=O)CC(CS(=O)(=O)c2ccc(C)cc2)C(=O)c2ccc(C(=O)NCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cc2)cc1 606235274 VCYROJRQWRDNJR-UHFFFAOYSA-N 844.958 2.844 30 20 KFED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(NC(=O)NC[C@H]4CCCO4)cc3)CC2)cc1 514394814 TXVQZXWJMQZTTN-JOCHJYFZSA-N 511.604 2.898 30 20 KFED C=CCn1c(S[C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395919 XDCVSUXZEYOMOR-NRFANRHFSA-N 598.751 2.687 30 20 KFED CC(C)OCCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2ccccc2c1=O 514386193 HBYVFPHVIVMRPP-UHFFFAOYSA-N 569.709 2.708 30 20 KFED N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@H]1CCCO1 514381376 CJUSHSLDHHJFRL-GOSISDBHSA-N 526.460 2.721 30 20 KFED CC[C@H](c1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1-c1ccc(OC)cc1)N(C)C 514386092 CUTMHXUTFZKZLZ-HSZRJFAPSA-N 583.740 2.785 30 20 KFED N#CC(C(=O)NCCN1CCOCC1)=c1sc(=Cc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(=O)n1C[C@@H]1CCCO1 514381788 SKLJQGRIQWFACM-QHCPKHFHSA-N 656.592 2.599 30 20 KFED C=CCn1c(SC[C@@H](O)COCc2ccccc2OC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514387590 PIZMVBNWLDSVFD-QFIPXVFZSA-N 560.698 2.830 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nnc1-c1ccccc1OC 514390791 CDFNMSJZUAPFKC-MRXNPFEDSA-N 502.622 2.735 30 20 KFED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(NC(=O)c4ccc(Cl)cc4)c3)c(=O)n2C[C@H]2CCCO2)CC1 514297255 PCQTVPXERFKGTQ-RUZDIDTESA-N 606.148 2.662 30 20 KFED COC(=O)c1ccc(COc2ccc(C=c3sc(=C(C#N)C(=O)N4CCCC4)n(C[C@@H]4CCCO4)c3=O)cc2OC)cc1 514296839 LDEFWMCZXBLJJJ-DEOSSOPVSA-N 603.697 2.588 30 20 KFED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2c(F)cccc2Cl)c1=O 514381779 RUMZYNLEVQKCOT-UHFFFAOYSA-N 502.015 2.998 30 20 KFED CC(C)[C@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O 2048524594 IMBGHUHYLUKXPQ-SVEHJYQDSA-N 589.693 2.652 30 20 KFED C=CCn1c(=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 514295717 DBCYTDAUYAESHH-MAUKXSAKSA-N 503.571 2.904 30 20 KFED O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O 2048532511 XTKIFEOEHVOXNI-UHFFFAOYSA-N 848.940 2.688 30 20 KFED C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)c2C#N)C1 514391289 GDCQOJDPOSRDIW-INIZCTEOSA-N 517.633 2.988 30 20 KFED C=CCn1c(SCC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)nc2sc(C)c(C)c2c1=O 514403820 QXLMDLBAOYLMLV-OAHLLOKOSA-N 507.663 2.856 30 20 KFED C=CCn1c(S[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395202 FJLCEIGVJAAWRQ-TZIWHRDSSA-N 585.708 2.589 30 20 KFED COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(C)(C)C)cc3)n(CCN3CCOCC3)c2=O)oc1C 514405348 SVJURKKIUFBJMK-UHFFFAOYSA-N 563.676 2.614 30 20 KFED C=CCn1c(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375586 SOJUYUPMESSQBN-NQIIRXRSSA-N 562.718 2.649 30 20 KFED C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 514301960 JPFKKQLOZYJIGU-UHFFFAOYSA-N 578.095 2.969 30 20 KFED