smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1CCN1CCOCC1 514381598 KPFRGSLMHKCYGV-UHFFFAOYSA-N 544.603 2.130 30 20 KEED N#Cc1ccc(CN2CCCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CC2)cc1 514390649 RVSVRPYPGLESDJ-UHFFFAOYSA-N 524.643 2.465 30 20 KEED C[C@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CCN3CCOCC3)c2=O)o1 514388428 SWYYWVNNNKVBKS-LAUBAEHRSA-N 507.587 2.483 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)CC2)cc1 514388620 RICZKCIZNBWDTF-QPPBQGQZSA-N 514.604 2.121 30 20 KEED C=CCn1c(SCC(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375251 NVDFTIHQNOYPPS-NRFANRHFSA-N 597.785 2.060 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)NCCN2CCOCC2)sc(=Cc2cccc(Oc3ccccc3)c2)c1=O 514297061 MUSYZHQWPRCALU-UHFFFAOYSA-N 562.692 2.080 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)CC2)cc1 514388942 VYFOVNMGPDFECR-UHFFFAOYSA-N 530.050 2.395 30 20 KEED C=CCn1c(S[C@H](C)C(=O)NCC(F)(F)F)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375775 WUSMTQMLYNTTMO-CQSZACIVSA-N 519.571 2.311 30 20 KEED CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 514404925 OBHKCEISCNIXRP-UHFFFAOYSA-N 507.594 2.008 30 20 KEED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCc1cccs1 609037331 MBJPGSFCTYLNGS-UHFFFAOYSA-N 500.001 2.401 30 20 KEED COCCN(C(=O)CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1c(O)nc(=O)n(CC(C)C)c1N 514394260 LFFQGKUSSICLOU-UHFFFAOYSA-N 537.539 2.133 30 20 KEED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)n2C 514389392 FQBGRBFLPPRVAY-HSZRJFAPSA-N 512.611 2.304 30 20 KEED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 514291573 HRLMWHSPQXKYOS-UHFFFAOYSA-N 505.616 2.487 30 20 KEED N#CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 514298118 VDGPBNPSIRKKMH-NRFANRHFSA-N 584.745 2.467 30 20 KEED C=CCN(CC=C)C(=O)[C@@H](CCSC)NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 514380376 IZXZJCFMKFAUJO-CQSZACIVSA-N 504.652 2.230 30 20 KEED COc1cc(C=c2sc(=C(C#N)C(=O)NCCN3CCOCC3)n(CC(C)C)c2=O)ccc1OCc1ccccc1 514296263 HAUOMPVQKDMUDX-UHFFFAOYSA-N 576.719 2.105 30 20 KEED C=CCn1c(SCC(=O)NCCCN2CCCC2=O)nnc1-c1cccc(S(=O)(=O)N(CC)CC)c1 514291595 HICGTBKWQPTJLD-UHFFFAOYSA-N 534.708 2.382 30 20 KEED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2C[C@H]2CCCO2)CC1 514299928 LDCUTUBFOMATAY-HSZRJFAPSA-N 544.677 2.258 30 20 KEED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2C[C@H]2CCCO2)CC1 514404676 IGQBXVQZTGGISI-HXUWFJFHSA-N 550.706 2.319 30 20 KEED C[C@@H]1C[C@H]1c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CCN3CCOCC3)c2=O)o1 514388425 SWYYWVNNNKVBKS-DYESRHJHSA-N 507.587 2.483 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)CC2)cc1 514388622 RICZKCIZNBWDTF-XUZZJYLKSA-N 514.604 2.121 30 20 KEED COc1ccc(CCNC(=O)C(C#N)=c2sc(=Cc3ccc(C(F)(F)F)cc3)c(=O)n2CCN2CCOCC2)cc1OC 514297588 PQXBAJVWPBVYMT-UHFFFAOYSA-N 616.662 2.140 30 20 KEED C=CCNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@@H](C)COC 514373966 BRKOVUKHOMZURQ-INIZCTEOSA-N 524.669 2.287 30 20 KEED COC(=O)c1ccccc1-c1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCN3CCOCC3)c2=O)o1 514295463 BGBMXPYJENCBEH-UHFFFAOYSA-N 549.649 2.407 30 20 KEED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 514405256 UMVCDKVZXIOCHS-UHFFFAOYSA-N 501.565 2.247 30 20 KEED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2C[C@@H]2CCCO2)CC1 514382903 BQRPCTBQPCMFIB-QHCPKHFHSA-N 544.677 2.258 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 514381763 REMLDUOXUWINRG-HNNXBMFYSA-N 510.443 2.441 30 20 KEED CCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2cc(Br)c(O)c(Br)c2)c1=O 514295352 AAYWQOWGQNJICF-UHFFFAOYSA-N 559.280 2.206 30 20 KEED C=CCN(CC=C)C(=O)[C@H](CCSC)NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC 514380375 IZXZJCFMKFAUJO-AWEZNQCLSA-N 504.652 2.230 30 20 KEED N#CC(c1nnc2n1CCCCC2)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1CCN1CCOCC1 514381859 VRXBWHAILQWBRI-UHFFFAOYSA-N 544.603 2.130 30 20 KEED CCCCn1c(N)c(N(CC(C)C)C(=O)CCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 514297324 UVKHXRJKVOEPAL-UHFFFAOYSA-N 537.665 2.316 30 20 KEED COC(=O)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(OC)c(OC)c1 514304765 ZDXDFIWEASIBBU-NRFANRHFSA-N 515.588 2.397 30 20 KEED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nnc1[C@H]1COc2ccccc2O1 514391071 FJZCYYKUPWSUJM-HXUWFJFHSA-N 560.658 2.207 30 20 KEED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CC(C)C 514296538 IWRMEFXWVNLNJL-UHFFFAOYSA-N 508.438 2.462 30 20 KEED CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 514401067 KXXBFRLWSQSWQP-UHFFFAOYSA-N 537.564 2.371 30 20 KEED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OCc3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 514381414 DYBDZWAHLPSTKS-HSZRJFAPSA-N 563.676 2.332 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CS[C@@]4(c5ccc(F)cc5)CCC(=O)N34)CC2)cc1 514388623 RICZKCIZNBWDTF-ZJSXRUAMSA-N 514.604 2.121 30 20 KEED CCOc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 514300093 SOXLHKWICMKQQT-UHFFFAOYSA-N 516.620 2.356 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)c1=O 514380482 LTAWHPHCQZNIOU-UHFFFAOYSA-N 581.666 2.425 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CS[C@]4(c5ccc(F)cc5)CCC(=O)N34)CC2)cc1 514388621 RICZKCIZNBWDTF-URXFXBBRSA-N 514.604 2.121 30 20 KEED N#CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1CCN1CCOCC1 514298269 YRRVOSBUDYXBCC-UHFFFAOYSA-N 642.203 2.212 30 20 KEED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)C[C@@H](C)O1 514388039 TWTNWEIXUODDQA-KDURUIRLSA-N 546.671 2.396 30 20 KEED COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 514379081 LEWZKYHVMOHZRD-UHFFFAOYSA-N 510.616 2.090 30 20 KEED COC(=O)c1cc(C#N)c(=O)n(CC(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c1 514394657 QSKDTESLIGROPH-UHFFFAOYSA-N 506.968 2.363 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2cccc(OC)c2)c1=O 514384118 LVUXVUWFXIRBRA-UHFFFAOYSA-N 562.692 2.205 30 20 KEED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(Cl)nc3)c2=O)cc1 727163128 LZVTVEQPKNTYAQ-UHFFFAOYSA-N 500.001 2.223 30 20 KEED C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 514393274 VDPSGWRLAPCVAW-UHFFFAOYSA-N 594.612 2.230 30 20 KEED C=CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nc2sc3c(c2c1=O)CCC3 514375536 RSWQNEQHKVYYLR-UHFFFAOYSA-N 560.702 2.405 30 20 KEED CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1O 169292660 IEMDOFXTVAPVLX-BRSNCBHMSA-N 785.969 2.443 30 20 KEED in-man CC(C)C[C@@H](NC(=O)c1cnccn1)B1OB([C@H](CC(C)C)NC(=O)c2cnccn2)OB([C@H](CC(C)C)NC(=O)c2cnccn2)O1 2048529028 ZUYMBYHPTUKVMV-GMQQYTKMSA-N 657.159 2.036 30 20 KEED C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(OC)c(OC)c2)CC1 514390967 XDJCTJVKUACRJG-NRFANRHFSA-N 511.648 2.363 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCc4ccccc4)c3)c(=O)n2C[C@H]2CCCO2)CC1 514298244 XWUWCSXDGHICEE-AREMUKBSSA-N 558.704 2.335 30 20 KEED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3cc(C(=O)OC)c(C)o3)c(=O)n2CCN2CCOCC2)cc1 514404892 MTTOUGWRSOWAQK-UHFFFAOYSA-N 549.649 2.269 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1C[C@H]1CCCO1 514391137 HMFKKOUTZTXLSX-GOSISDBHSA-N 525.549 2.033 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)c(=O)n1CCN1CCOCC1 514298268 YQRBWGRKMNCFSD-UHFFFAOYSA-N 624.163 2.194 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(OCc3ccc(C(=O)OC)cc3)c(OC)c2)c1=O 514404134 ZKCSQTFHESKVLB-UHFFFAOYSA-N 591.686 2.492 30 20 KEED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514374437 CCBVFPXDWASXOF-UHFFFAOYSA-N 667.235 2.431 30 20 KEED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)s3)c(=O)n2C[C@@H]2CCCO2)CC1 514404675 IGQBXVQZTGGISI-FQEVSTJZSA-N 550.706 2.319 30 20 KEED COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)c(OC)c1OC 514388268 MVXFYEULNXXANG-UHFFFAOYSA-N 542.658 2.329 30 20 KEED C=CCOc1ccccc1CN(C(=O)CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)OCO2 514401343 URJDWJQTGBXORF-HSZRJFAPSA-N 527.643 2.318 30 20 KEED N#Cc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)CC2)cc1 514377965 AECLURZNRZTCSY-UHFFFAOYSA-N 510.616 2.075 30 20 KEED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)nnc1-c1cccnc1 514385890 YEQQGDXHOYNFLT-UHFFFAOYSA-N 556.670 2.313 30 20 KEED CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 514387245 LVJXRSLNHVQXFM-VWLOTQADSA-N 512.632 2.367 30 20 KEED CN1C(=O)C=C(N2CCC[C@H](N)C2)[C@H](Cc2cc(N[C@@H]3CCCN(c4cc(=O)n(C)c(=O)n4Cc4cc(F)ccc4C#N)C3)ccc2C#N)C1=O 2048532219 OQQWJBOZDCPUSG-NBZVVWIMSA-N 693.784 2.023 30 20 KEED C=CCn1c(S[C@H](C)C(=O)NCCCOCC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395307 HPOXCJJMQLWMQY-GOSISDBHSA-N 523.681 2.175 30 20 KEED C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)nc2sc3c(c2c1=O)CCC3 514301049 WZCHZKWWBIJLIY-UHFFFAOYSA-N 503.694 2.284 30 20 KEED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1CCN1CCOCC1 514403667 XTJFCMUEMSCOKV-UHFFFAOYSA-N 509.550 2.259 30 20 KEED C=CCNC(=O)CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(OC)c(OC)c2)CC1 514390971 XDJCTJVKUACRJG-OAQYLSRUSA-N 511.648 2.363 30 20 KEED CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 514379672 CSVIJZIDBGTMCX-UHFFFAOYSA-N 515.592 2.220 30 20 KEED CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 514387244 LVJXRSLNHVQXFM-RUZDIDTESA-N 512.632 2.367 30 20 KEED COc1cc([C@H](C)OC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])cc1OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1857791892 WXAMRLAFOFNACR-ILRWFMBPSA-N 840.906 2.049 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2cccs2)c1=O 514382823 WJRRRJLDEWKIMR-UHFFFAOYSA-N 538.695 2.258 30 20 KEED C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)C[C@H](C)O1 514388040 TWTNWEIXUODDQA-OALUTQOASA-N 546.671 2.396 30 20 KEED CCCc1ccc(C(=O)C(C#N)=c2sc(=Cc3ccc4c(c3)OCCO4)c(=O)n2CCN2CCOCC2)cc1 514298599 BRNHZPAXIJHCRA-UHFFFAOYSA-N 545.661 2.352 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 514391138 HMFKKOUTZTXLSX-SFHVURJKSA-N 525.549 2.033 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2C[C@@H]2CCCO2)CC1 514296724 KFXCITGJLGSEMY-KRWDZBQOSA-N 521.470 2.063 30 20 KEED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N 514293291 SQHWYZZYZFAMCL-UHFFFAOYSA-N 561.640 2.454 30 20 KEED C=CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nnc1[C@H]1COc2ccccc2O1 514402735 LSDIUNMGUHLFNG-GOSISDBHSA-N 512.592 2.050 30 20 KEED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OCc3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 514381415 DYBDZWAHLPSTKS-QHCPKHFHSA-N 563.676 2.332 30 20 KEED CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 514389841 OQWMGXAABFQTCI-UHFFFAOYSA-N 508.622 2.247 30 20 KEED CN1C(=O)C=C(N2CCC[C@H](N)C2)[C@@H](Cc2cc(N[C@H]3CCCN(c4cc(=O)n(C)c(=O)n4Cc4cc(F)ccc4C#N)C3)ccc2C#N)C1=O 2048532218 OQQWJBOZDCPUSG-LHGWWSMPSA-N 693.784 2.023 30 20 KEED CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1CCN1CCOCC1 514394497 WQFJQLJUWKZGEB-UHFFFAOYSA-N 510.479 2.184 30 20 KEED C=CCNC(=O)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1[C@H](C)COC 514373967 BRKOVUKHOMZURQ-MRXNPFEDSA-N 524.669 2.287 30 20 KEED COc1cc(C=c2sc(=C(C#N)C(=O)c3cccc(Cl)c3)n(CC(N)=O)c2=O)ccc1SC 589157382 WVXSLZOXHSXPSR-UHFFFAOYSA-N 500.001 2.165 30 20 KEED CCOCCCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 514297260 PCSDKIPKWQEPTO-UHFFFAOYSA-N 539.658 2.231 30 20 KEED C=CCn1c(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)nnc1[C@@H]1COc2ccccc2O1 514402736 LSDIUNMGUHLFNG-SFHVURJKSA-N 512.592 2.050 30 20 KEED COCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1CC(C)C 514298274 YSDKRRIGHPCNRT-UHFFFAOYSA-N 573.307 2.452 30 20 KEED CN1C(=O)C=C(N2CCC[C@H](N)C2)[C@H](Cc2cc(N[C@H]3CCCN(c4cc(=O)n(C)c(=O)n4Cc4cc(F)ccc4C#N)C3)ccc2C#N)C1=O 2048532216 OQQWJBOZDCPUSG-ASVWTAOFSA-N 693.784 2.023 30 20 KEED N#CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 514298121 VDGPBNPSIRKKMH-OAQYLSRUSA-N 584.745 2.467 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1C[C@@H]1CCCO1 514381590 KCCCXNVZORHARS-HNNXBMFYSA-N 615.344 2.365 30 20 KEED COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CC2)c(C(=O)OC)c1C 514297679 ZAJPRWQXOFJWAY-UHFFFAOYSA-N 588.708 2.247 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccccc2OC)c1=O 514300975 UCMLUFSHQJLKRD-UHFFFAOYSA-N 562.692 2.205 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccc5c(c4)OCCO5)CC3)CC2)cc1 514388308 NSVFLMUZQDTZRD-UHFFFAOYSA-N 510.616 2.075 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C[C@@H]1CCCO1 514381700 OODNSDVZGIBWAG-SFHVURJKSA-N 509.550 2.153 30 20 KEED CCCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1c(O)nc(=O)n(CCCC)c1N 514386848 FOXJEYJIGTVXJJ-UHFFFAOYSA-N 530.651 2.437 30 20 KEED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1C[C@H]1CCCO1 514381427 FFKFTPUACVBFQJ-QGZVFWFLSA-N 520.449 2.279 30 20 KEED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc(N2CCOCC2)n1C[C@H]1CCCO1 514393694 JGOLJPLQAOIWHP-LJQANCHMSA-N 517.656 2.351 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc3ccccc23)c1=O 514298160 VZWNEJWYEFYZTP-UHFFFAOYSA-N 504.656 2.157 30 20 KEED C=CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3 514384417 PPGGAKFGCNFKJF-CVEARBPZSA-N 523.702 2.420 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(-c3ccccc3C(=O)OC)o2)c(=O)n1CCCOCC 514297180 OHEGSOBRHVOASC-UHFFFAOYSA-N 567.664 2.429 30 20 KEED CCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(OCc3ccccc3)c2)c(=O)n1CCN1CCOCC1 514296521 IKTCQWCHHLKPHR-UHFFFAOYSA-N 546.693 2.240 30 20 KEED COc1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C[C@@H]3CCCO3)c2=O)cc(Br)c1O 514381428 FFUYOJZZUGGXCU-INIZCTEOSA-N 572.485 2.435 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1 514387698 ITOACVUAQWKQPI-UHFFFAOYSA-N 537.063 2.145 30 20 KEED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(Br)c(O)c(OC)c2)c1=O 514405005 PVYVRPXHSHCJDP-UHFFFAOYSA-N 537.432 2.458 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1C[C@H]1CCCO1 514298218 XDGXQWQAAVRLLD-QGZVFWFLSA-N 509.550 2.153 30 20 KEED C=CCn1c(S[C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514405180 SGFYQWYPAMZMFY-IBGZPJMESA-N 577.729 2.434 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(OC)c(Br)c2)c1=O 514298899 AJSJCZVEBWOIPH-UHFFFAOYSA-N 520.449 2.233 30 20 KEED COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(C[C@@H]3CCCO3)c2=O)c1 514380499 LZHYUMGOCHAUJA-DEOSSOPVSA-N 608.742 2.414 30 20 KEED N#Cc1ccc(CN2CCN(CC(=O)N3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)CC2)cc1 514401085 LLCCCGKZBVVZJD-UHFFFAOYSA-N 528.579 2.478 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OCc4ccccc4)c3)c(=O)n2C[C@@H]2CCCO2)CC1 514381775 ROWMBMIGZGOIKL-VWLOTQADSA-N 588.730 2.344 30 20 KEED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](c3cccs3)N3CCN(C)CC3)nnc12 514402952 UFDAQDVPGFCVIS-HXUWFJFHSA-N 523.688 2.489 30 20 KEED C=CCn1c(=C(C#N)C(=O)NCCCOCC)sc(=Cc2cc(Br)c(OCC)c(OC)c2)c1=O 514299878 JYAFLRGDRQIZNC-UHFFFAOYSA-N 550.475 2.311 30 20 KEED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)c(OC)c2)c(=O)n1C[C@@H]1CCCO1 514298134 VJZBUUMGFAEYED-QHCPKHFHSA-N 563.676 2.332 30 20 KEED COc1cc(C=c2sc(=C(C#N)C(=O)Nc3ccc(C)cc3C)n(CCN3CCOCC3)c2=O)cc(OC)c1OC 514381540 IPUUYMBPVTYPBS-UHFFFAOYSA-N 578.691 2.026 30 20 KEED CCOC(=O)c1ccc(C#N)c(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 514394010 FHOYUJFEJLAWJD-UHFFFAOYSA-N 514.629 2.244 30 20 KEED Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc1 1857790636 FKHWXQLQWBHGOX-UHFFFAOYSA-N 535.656 2.308 30 20 KEED Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-])cc1 140209753 RLYTUKAPGROZLK-UHFFFAOYSA-N 549.643 2.127 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(OCc4ccccc4)c3)c(=O)n2C[C@@H]2CCCO2)CC1 514298245 XWUWCSXDGHICEE-SANMLTNESA-N 558.704 2.335 30 20 KEED C=CCN(CC=C)C(=O)Cn1c(=CC(=O)C(C)(C)C)sc(=Cc2cc(OC)c(OC)cc2OC)c1=O 514296360 HWHNHMXVWDCABT-UHFFFAOYSA-N 514.644 2.361 30 20 KEED C=CCn1c(S[C@H](C)C(=O)N2CCC(C(=O)OCC)CC2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514405181 SGFYQWYPAMZMFY-LJQANCHMSA-N 577.729 2.434 30 20 KEED CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)ccc2OC)c(=O)n1C[C@@H]1CCCO1 514381426 FFKFTPUACVBFQJ-KRWDZBQOSA-N 520.449 2.279 30 20 KEED COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CSc3nc4c(c(C)c3C#N)CCC4)CC2)c1 514386407 NYGQCFYGBUJHRT-UHFFFAOYSA-N 516.645 2.393 30 20 KEED C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 514303030 JGBDXPZUOZDNNQ-OAQYLSRUSA-N 511.648 2.114 30 20 KEED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(c4ccccc4F)CC3)n(C[C@@H]3CCCO3)c2=O)cc1C 514391266 FRILQYHWQMYSMW-QFIPXVFZSA-N 562.667 2.397 30 20 KEED CCOc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(=O)(=O)N1CCCCC1 514299745 QIKROKACAXSWGM-UHFFFAOYSA-N 506.606 2.049 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c(OC)c(OC)c2)c(=O)n1CCCOCC 514383339 GXISGCFGJLUMPC-UHFFFAOYSA-N 538.066 2.053 30 20 KEED COc1ccc(C=c2sc(=C(C#N)C(=O)N3CCN(c4ccccc4F)CC3)n(C[C@H]3CCCO3)c2=O)cc1C 514391265 FRILQYHWQMYSMW-JOCHJYFZSA-N 562.667 2.397 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(Cl)c3Cl)c(=O)n2C[C@H]2CCCO2)CC1 514296730 KFXCITGJLGSEMY-QGZVFWFLSA-N 521.470 2.063 30 20 KEED C=CCNc1nnc(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)s1 514291490 GPTCPRJCTNKURW-UHFFFAOYSA-N 524.694 2.488 30 20 KEED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1 514389185 BJZSDFFTDRMPGL-UHFFFAOYSA-N 507.638 2.160 30 20 KEED C=CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccccc1OC 514291385 FODHCZWIVZZEOG-UHFFFAOYSA-N 543.650 2.412 30 20 KEED COCCCn1c(C)c(C)c(C#N)c1NC(=O)CSc1nnc(N2CCOCC2)n1C[C@@H]1CCCO1 514393693 JGOLJPLQAOIWHP-IBGZPJMESA-N 517.656 2.351 30 20 KEED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(C)cc3)c(=O)n2C[C@@H]2CCCO2)CC1 514299929 LDCUTUBFOMATAY-QHCPKHFHSA-N 544.677 2.258 30 20 KEED C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1Cc1cccs1 590990067 MGHQRZQUTNYCAP-UHFFFAOYSA-N 500.001 2.249 30 20 KEED N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(-c3ccc(Br)cc3)o2)c(=O)n1CCN1CCOCC1 514381382 CPIFQBPILKLASS-UHFFFAOYSA-N 583.508 2.390 30 20 KEED C=CCn1c(S[C@@H](C)C(=O)NCCCOCC)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514395308 HPOXCJJMQLWMQY-SFHVURJKSA-N 523.681 2.175 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OC)c(OCc4ccccc4)c3)c(=O)n2C[C@H]2CCCO2)CC1 514381774 ROWMBMIGZGOIKL-RUZDIDTESA-N 588.730 2.344 30 20 KEED COc1cccc(C=c2sc(=C(C#N)C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)n(C[C@H]3CCCO3)c2=O)c1 514380502 LZHYUMGOCHAUJA-XMMPIXPASA-N 608.742 2.414 30 20 KEED C=CCn1c(S[C@@H](C)C(=O)NCC(F)(F)F)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375774 WUSMTQMLYNTTMO-AWEZNQCLSA-N 519.571 2.311 30 20 KEED C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2)C[C@@H](C)O1 514388041 TWTNWEIXUODDQA-RTBURBONSA-N 546.671 2.396 30 20 KEED C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 514384387 OQMUVRHZOQTQSN-UHFFFAOYSA-N 504.632 2.333 30 20 KEED C[C@@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CCN3CCOCC3)c2=O)o1 514388430 SWYYWVNNNKVBKS-UTKZUKDTSA-N 507.587 2.483 30 20 KEED C=CCn1c(C)nnc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 514376341 IWMATXTUVJZZBZ-UHFFFAOYSA-N 508.670 2.370 30 20 KEED CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)cc1 514384918 WPXHKJKUWDBKOL-UHFFFAOYSA-N 504.634 2.149 30 20 KEED C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 514391475 KVCXVVXRBYQBFQ-UHFFFAOYSA-N 532.736 2.259 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)NCCCOC)sc(=Cc2ccc(-c3ccccc3C(=O)OC)o2)c1=O 514296586 JHYOBYFJHSGIKK-UHFFFAOYSA-N 553.637 2.039 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2C[C@@H]2CCCO2)CC1 514380800 QSLSWZMUOJIXBW-VWLOTQADSA-N 588.730 2.344 30 20 KEED Cc1cc(C)c(C#N)c(SCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 514302155 CCQGCXKTLRXQFV-UHFFFAOYSA-N 502.618 2.357 30 20 KEED COC(=O)c1csc(S(=O)(=O)N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 514391745 NQVPKEWXILJXOJ-UHFFFAOYSA-N 508.647 2.292 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)c(=O)n2CCN2CCOCC2)CC1 514381561 JFQNBPVBBUYMOH-UHFFFAOYSA-N 669.635 2.468 30 20 KEED C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](c3cccs3)N3CCN(C)CC3)nnc12 514402951 UFDAQDVPGFCVIS-FQEVSTJZSA-N 523.688 2.489 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1CCCOCC 514381574 JPLUHFCASQLVLJ-UHFFFAOYSA-N 511.566 2.401 30 20 KEED C=CCn1c(SCC(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)nnc1-c1ccccc1 514290925 BGAYZQOZLMNMSD-UHFFFAOYSA-N 513.624 2.403 30 20 KEED C[C@H]1C[C@@H]1c1ccc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(CCN3CCOCC3)c2=O)o1 514388431 SWYYWVNNNKVBKS-UWJYYQICSA-N 507.587 2.483 30 20 KEED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCc1cccs1 609037527 RCOHNZKAJKZTTR-UHFFFAOYSA-N 500.001 2.378 30 20 KEED C=CCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(OC)c1 514376790 RFUMDJUGDQADFM-UHFFFAOYSA-N 531.631 2.299 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 514298217 XDGXQWQAAVRLLD-KRWDZBQOSA-N 509.550 2.153 30 20 KEED CC(C)C[C@H](NC(=O)c1cnccn1)B1OB([C@H](CC(C)C)NC(=O)c2cnccn2)OB([C@H](CC(C)C)NC(=O)c2cnccn2)O1 2048529029 ZUYMBYHPTUKVMV-QKDODKLFSA-N 657.159 2.036 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2cccc(Cl)c2Cl)c1=O 514380420 KOQAFFNMNNBGAR-UHFFFAOYSA-N 523.486 2.310 30 20 KEED C=CCOc1ccccc1CN(C(=O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccc2c(c1)OCO2 514401344 URJDWJQTGBXORF-QHCPKHFHSA-N 527.643 2.318 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Br)ccc2OC(F)F)c1=O 514300987 USDCBIGQBCSEHK-UHFFFAOYSA-N 572.428 2.062 30 20 KEED COc1ccc(S(=O)(=O)N2CCN(CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)cc1[N+](=O)[O-] 514381113 XWIZPYWGJZDYLO-UHFFFAOYSA-N 515.592 2.473 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(OC)c2)c(=O)n1CC(C)C 514404775 MILDZRKEMAIYCF-UHFFFAOYSA-N 538.464 2.088 30 20 KEED C=CCn1c(SCC(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 514375252 NVDFTIHQNOYPPS-OAQYLSRUSA-N 597.785 2.060 30 20 KEED C=CCn1c(SCC(=O)Nc2sc(C(=O)OC)c(CC(=O)OC)c2C(=O)OC)nnc1C1CC1 514404196 BQVKDROUVJIKBX-UHFFFAOYSA-N 508.578 2.423 30 20 KEED N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N4CCOCC4)cc3N3CCOCC3)CC2)cc1 514387363 FDSUKENSJOVLSZ-UHFFFAOYSA-N 539.658 2.271 30 20 KEED COc1ccc(N/C(S)=C(/C(O)=C2C=CC(=NS(C)(=O)=O)C=C2)n2ccc(=[N+](C)C)cc2)cn1 728558510 NZBBWLLRHZYOFM-UHFFFAOYSA-O 500.626 2.430 30 20 KEED COc1cc([C@@H](C)OC(=O)ON2C(=O)CCC2=O)c([N+](=O)[O-])cc1OCCCC(=O)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1857791893 WXAMRLAFOFNACR-PWYCUJMUSA-N 840.906 2.049 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccc(OC)cc2)c1=O 514300477 WBNQCZCPGPWMLX-UHFFFAOYSA-N 562.692 2.205 30 20 KEED COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OCc3ccccc3)c(OC)c2)c(=O)n1C[C@H]1CCCO1 514298132 VJZBUUMGFAEYED-HSZRJFAPSA-N 563.676 2.332 30 20 KEED COc1ccc(NC(=O)CCN2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N1CCCCC1 514391694 NBALQPQUIGWQRD-UHFFFAOYSA-N 512.636 2.287 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(Cl)cccc2Cl)c(=O)n1C[C@H]1CCCO1 514381764 REMLDUOXUWINRG-OAHLLOKOSA-N 510.443 2.441 30 20 KEED C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(S(=O)(=O)N(CC)c3ccccc3)ccc2Cl)CC1 514401949 COXKKNIRJFYNPW-UHFFFAOYSA-N 534.082 2.414 30 20 KEED COc1ccc(Cn2c(=C(C#N)C(=O)NCCN3CCOCC3)sc(=Cc3ccc(C(C)C)cc3)c2=O)cc1 514381738 QCNQDQQFRNABMN-UHFFFAOYSA-N 546.693 2.042 30 20 KEED N#CC(C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)=c1sc(=Cc2ccccc2Cl)c(=O)n1CCN1CCOCC1 514381340 ALTIEASGDLCOAE-UHFFFAOYSA-N 642.203 2.212 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(OC(F)F)c(OC)c2)c(=O)n1CC(C)C 514381477 GTCKQFZZQMBAMN-UHFFFAOYSA-N 509.575 2.222 30 20 KEED C=CCn1c(SCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)nnc1[C@@H]1COc2ccccc2O1 514391069 FJZCYYKUPWSUJM-FQEVSTJZSA-N 560.658 2.207 30 20 KEED COc1cc(C=c2sc(=C(C#N)c3nnc4n3CCCCC4)n(C[C@H]3CCCO3)c2=O)cc(Br)c1O 514381429 FFUYOJZZUGGXCU-MRXNPFEDSA-N 572.485 2.435 30 20 KEED N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 514377540 ZENLNXNYSXPHSX-UHFFFAOYSA-N 516.645 2.270 30 20 KEED CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)n2C 514389393 FQBGRBFLPPRVAY-QHCPKHFHSA-N 512.611 2.304 30 20 KEED CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)N(C)C 514387372 FGIQMXJZQQDLTM-UHFFFAOYSA-N 520.633 2.247 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2c(OC)ccc3ccccc23)c1=O 514381504 HIMYDCRJIXMLCY-UHFFFAOYSA-N 534.682 2.165 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C(F)(F)F)c2)c(=O)n1C[C@H]1CCCO1 514381699 OODNSDVZGIBWAG-GOSISDBHSA-N 509.550 2.153 30 20 KEED COc1cc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1OC(F)F 514388188 WFTXDBJPYPGWOD-UHFFFAOYSA-N 508.547 2.133 30 20 KEED COC(=O)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(OC)c(OC)c1 514304766 ZDXDFIWEASIBBU-OAQYLSRUSA-N 515.588 2.397 30 20 KEED CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccc(OCc4ccccc4)c(OC)c3)c(=O)n2C[C@H]2CCCO2)CC1 514380799 QSLSWZMUOJIXBW-RUZDIDTESA-N 588.730 2.344 30 20 KEED CN1C(=O)C=C(N2CCC[C@H](N)C2)[C@@H](Cc2cc(N[C@@H]3CCCN(c4cc(=O)n(C)c(=O)n4Cc4cc(F)ccc4C#N)C3)ccc2C#N)C1=O 2048532217 OQQWJBOZDCPUSG-FAOMPSFFSA-N 693.784 2.023 30 20 KEED C=CCn1c(SCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3 514384418 PPGGAKFGCNFKJF-HOTGVXAUSA-N 523.702 2.420 30 20 KEED CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1CCSc1ccccc1 514523507 KUKDNPIJNNEWSE-UHFFFAOYSA-N 500.001 2.333 30 20 KEED C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCN(Cc2ccc(C#N)cc2)CC1 514303029 JGBDXPZUOZDNNQ-NRFANRHFSA-N 511.648 2.114 30 20 KEED C=CCn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2cc(Br)c(OCCC)c(OC)c2)c1=O 514298961 BIPDSNAOVGYNHL-UHFFFAOYSA-N 548.459 2.018 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2c(CC)oc3ccccc23)c(=O)n1CCCC(=O)OC 514388617 RHCWYNYBZSCQLK-UHFFFAOYSA-N 525.627 2.217 30 20 KEED CCOCCCn1c(=C(C#N)C(=O)N2CCN(c3ccccc3OC)CC2)sc(=Cc2ccsc2)c1=O 514384975 VZHFIUBNECXXBO-UHFFFAOYSA-N 538.695 2.258 30 20 KEED Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 514300855 SQBZRMVUERVAMY-UHFFFAOYSA-N 513.620 2.468 30 20 KEED COc1cc(C=c2sc(=C(C#N)C(=O)N3CCOCC3)n(CCN3CCOCC3)c2=O)ccc1OCc1ccc(Cl)cc1Cl 514302526 GBESWOAPSDGBBP-UHFFFAOYSA-N 659.592 2.498 30 20 KEED C=CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3 514384419 PPGGAKFGCNFKJF-HZPDHXFCSA-N 523.702 2.420 30 20 KEED CS(=O)(=O)c1ccc(C=c2sc(=C(C#N)C(=O)Nc3ccc(Cl)cc3)n(C3CC3)c2=O)cc1 604119924 PIWYLUPTUHWYAB-UHFFFAOYSA-N 500.001 2.443 30 20 KEED CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)COc3ccccc3C#N)CC2)c([N+](=O)[O-])c1 514377042 KGNAWXPMWCKHMT-UHFFFAOYSA-N 501.565 2.225 30 20 KEED COC(=O)CCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(OC)c(OC)c(OC)c2)c1=O 514384566 VVNSMLMRVPPXDO-UHFFFAOYSA-N 502.589 2.007 30 20 KEED C=CCn1c(SCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)nc2sc3c(c2c1=O)CCC3 514384420 PPGGAKFGCNFKJF-JKSUJKDBSA-N 523.702 2.420 30 20 KEED COc1ccccc1N1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3C)c(=O)n2C[C@H]2CCCO2)CC1 514382898 BQRPCTBQPCMFIB-HSZRJFAPSA-N 544.677 2.258 30 20 KEED C=CCn1c(=C(C#N)C(=O)Nc2ccc(Cl)cc2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 604119045 CIJTVCUYRVDBLQ-UHFFFAOYSA-N 500.001 2.294 30 20 KEED CCOCCCNC(=O)C(C#N)=c1sc(=Cc2cc(Br)c(O)c(Br)c2)c(=O)n1C[C@H]1CCCO1 514381591 KCCCXNVZORHARS-OAHLLOKOSA-N 615.344 2.365 30 20 KEED N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(Cl)c3c(c2)OCCO3)c(=O)n1Cc1cccs1 514523432 ZWBWBPNBJMJAHH-UHFFFAOYSA-N 500.001 2.226 30 20 KEED CC(C)[C@H](NC(=O)COCCOCCOCCNC(=O)CCC(=O)N1Cc2ccccc2C#Cc2ccccc21)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1 1857523849 NICWZVHVGWDVOU-VPHSWYRMSA-N 855.990 2.084 30 20 KEED